Comparing_OpenFE_and_Perses_gas_phase.ipynb

{
 "cells": [
  {
   "cell_type": "markdown",
   "id": "fb279592",
   "metadata": {},
   "source": [
    "Building the perses hybrid topology factory"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 1,
   "id": "73c19864",
   "metadata": {},
   "outputs": [],
   "source": [
    "ligand_file = '../p38_2c_2g_ligands.sdf'"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "id": "62ab1b0b",
   "metadata": {},
   "outputs": [],
   "source": [
    "old_ligand_index = 0\n",
    "new_ligand_index = 1"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "id": "b0539e9d",
   "metadata": {},
   "outputs": [],
   "source": [
    "forcefield_files = ['amber/ff14SB.xml', 'amber/tip3p_standard.xml', 'amber/tip3p_HFE_multivalent.xml',] \n",
    "small_molecule_forcefield = ['openff-2.0.0']"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "id": "5c10c6f6",
   "metadata": {},
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.\n"
     ]
    }
   ],
   "source": [
    "from openeye import oechem\n",
    "from perses.utils.openeye import createOEMolFromSDF, extractPositionsFromOEMol"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "id": "da52273b",
   "metadata": {},
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "Warning: Unable to open \"../p38_2c_2g_ligands.sdf\" for reading molecules.\n"
     ]
    },
    {
     "ename": "IndexError",
     "evalue": "list index out of range",
     "output_type": "error",
     "traceback": [
      "\u001b[0;31m---------------------------------------------------------------------------\u001b[0m",
      "\u001b[0;31mIndexError\u001b[0m                                Traceback (most recent call last)",
      "Cell \u001b[0;32mIn [5], line 1\u001b[0m\n\u001b[0;32m----> 1\u001b[0m _ligand_oemol_old \u001b[38;5;241m=\u001b[39m \u001b[43mcreateOEMolFromSDF\u001b[49m\u001b[43m(\u001b[49m\u001b[43mligand_file\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mindex\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mold_ligand_index\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mallow_undefined_stereo\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[38;5;28;43;01mTrue\u001b[39;49;00m\u001b[43m)\u001b[49m\n\u001b[1;32m      2\u001b[0m _ligand_oemol_old\u001b[38;5;241m.\u001b[39mSetTitle(\u001b[38;5;124m'\u001b[39m\u001b[38;5;124mMOL\u001b[39m\u001b[38;5;124m'\u001b[39m)\n\u001b[1;32m      3\u001b[0m _ligand_oemol_new \u001b[38;5;241m=\u001b[39m createOEMolFromSDF(ligand_file, index\u001b[38;5;241m=\u001b[39mnew_ligand_index, allow_undefined_stereo\u001b[38;5;241m=\u001b[39m\u001b[38;5;28;01mTrue\u001b[39;00m)\n",
      "File \u001b[0;32m~/software/anaconda/install/envs/openfe-benchmarks/lib/python3.9/site-packages/perses/utils/openeye.py:354\u001b[0m, in \u001b[0;36mcreateOEMolFromSDF\u001b[0;34m(sdf_filename, index, add_hydrogens, allow_undefined_stereo)\u001b[0m\n\u001b[1;32m    350\u001b[0m mol_list \u001b[38;5;241m=\u001b[39m [oechem\u001b[38;5;241m.\u001b[39mOEMol(mol) \u001b[38;5;28;01mfor\u001b[39;00m mol \u001b[38;5;129;01min\u001b[39;00m ifs\u001b[38;5;241m.\u001b[39mGetOEMols()]\n\u001b[1;32m    351\u001b[0m \u001b[38;5;66;03m# we'll always take the first for now\u001b[39;00m\n\u001b[1;32m    352\u001b[0m \n\u001b[1;32m    353\u001b[0m \u001b[38;5;66;03m# pick out molecule of interest\u001b[39;00m\n\u001b[0;32m--> 354\u001b[0m molecule \u001b[38;5;241m=\u001b[39m \u001b[43mmol_list\u001b[49m\u001b[43m[\u001b[49m\u001b[43mindex\u001b[49m\u001b[43m]\u001b[49m\n\u001b[1;32m    356\u001b[0m \u001b[38;5;66;03m# Generate unique atom names\u001b[39;00m\n\u001b[1;32m    357\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m \u001b[38;5;28mlen\u001b[39m([atom\u001b[38;5;241m.\u001b[39mGetName() \u001b[38;5;28;01mfor\u001b[39;00m atom \u001b[38;5;129;01min\u001b[39;00m molecule\u001b[38;5;241m.\u001b[39mGetAtoms()]) \u001b[38;5;241m>\u001b[39m \u001b[38;5;28mlen\u001b[39m(\u001b[38;5;28mset\u001b[39m([atom\u001b[38;5;241m.\u001b[39mGetName() \u001b[38;5;28;01mfor\u001b[39;00m atom \u001b[38;5;129;01min\u001b[39;00m molecule\u001b[38;5;241m.\u001b[39mGetAtoms()])):\n",
      "\u001b[0;31mIndexError\u001b[0m: list index out of range"
     ]
    }
   ],
   "source": [
    "_ligand_oemol_old = createOEMolFromSDF(ligand_file, index=old_ligand_index, allow_undefined_stereo=True)\n",
    "_ligand_oemol_old.SetTitle('MOL')\n",
    "_ligand_oemol_new = createOEMolFromSDF(ligand_file, index=new_ligand_index, allow_undefined_stereo=True)\n",
    "_ligand_oemol_new.SetTitle('MOL')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "bf5fa397",
   "metadata": {},
   "outputs": [],
   "source": [
    "_ligand_positions_old = extractPositionsFromOEMol(_ligand_oemol_old)\n",
    "_ligand_positions_new = extractPositionsFromOEMol(_ligand_oemol_new)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 7,
   "id": "d2893b5a",
   "metadata": {},
   "outputs": [],
   "source": [
    "_ligand_smiles_old = oechem.OECreateSmiString(_ligand_oemol_old, oechem.OESMILESFlag_DEFAULT | oechem.OESMILESFlag_Hydrogens)\n",
    "_ligand_smiles_new = oechem.OECreateSmiString(_ligand_oemol_new, oechem.OESMILESFlag_DEFAULT | oechem.OESMILESFlag_Hydrogens)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 8,
   "id": "cb9b37d1",
   "metadata": {
    "scrolled": true
   },
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "/home/bioc1523/software/anaconda/install/envs/openfe-benchmarks/lib/python3.9/site-packages/numpy/core/getlimits.py:500: UserWarning: The value of the smallest subnormal for <class 'numpy.float64'> type is zero.\n",
      "  setattr(self, word, getattr(machar, word).flat[0])\n",
      "/home/bioc1523/software/anaconda/install/envs/openfe-benchmarks/lib/python3.9/site-packages/numpy/core/getlimits.py:89: UserWarning: The value of the smallest subnormal for <class 'numpy.float64'> type is zero.\n",
      "  return self._float_to_str(self.smallest_subnormal)\n",
      "/home/bioc1523/software/anaconda/install/envs/openfe-benchmarks/lib/python3.9/site-packages/numpy/core/getlimits.py:500: UserWarning: The value of the smallest subnormal for <class 'numpy.float32'> type is zero.\n",
      "  setattr(self, word, getattr(machar, word).flat[0])\n",
      "/home/bioc1523/software/anaconda/install/envs/openfe-benchmarks/lib/python3.9/site-packages/numpy/core/getlimits.py:89: UserWarning: The value of the smallest subnormal for <class 'numpy.float32'> type is zero.\n",
      "  return self._float_to_str(self.smallest_subnormal)\n"
     ]
    }
   ],
   "source": [
    "from openmoltools import forcefield_generators\n",
    "_ligand_topology_old = forcefield_generators.generateTopologyFromOEMol(_ligand_oemol_old)\n",
    "_ligand_topology_new = forcefield_generators.generateTopologyFromOEMol(_ligand_oemol_new)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 9,
   "id": "9d000b87",
   "metadata": {},
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "INFO:rdkit:Enabling RDKit 2022.09.1 jupyter extensions\n"
     ]
    }
   ],
   "source": [
    "from openff.toolkit.topology import Molecule\n",
    "molecules = [Molecule.from_openeye(oemol, allow_undefined_stereo=True) for oemol in [_ligand_oemol_old, _ligand_oemol_new]]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 10,
   "id": "c22bb93b",
   "metadata": {},
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "DEBUG:openmmforcefields.system_generators:Trying GAFFTemplateGenerator to load openff-2.0.0\n",
      "DEBUG:openmmforcefields.system_generators:  GAFFTemplateGenerator cannot load openff-2.0.0\n",
      "DEBUG:openmmforcefields.system_generators:Specified 'forcefield' (openff-2.0.0) must be one of ['gaff-1.4', 'gaff-1.8', 'gaff-1.81', 'gaff-2.1', 'gaff-2.11']\n",
      "DEBUG:openmmforcefields.system_generators:Trying SMIRNOFFTemplateGenerator to load openff-2.0.0\n"
     ]
    }
   ],
   "source": [
    "from openmmforcefields.generators import SystemGenerator\n",
    "import openmm\n",
    "from openmm import app\n",
    "import openmm.unit as unit\n",
    "forcefield_kwargs = {'removeCMMotion': False, 'ewaldErrorTolerance': 5e-04, 'constraints' : app.HBonds, 'rigidWater': True, 'hydrogenMass' : 3*unit.amus}\n",
    "\n",
    "barostat = openmm.MonteCarloBarostat(1.0 * unit.atmosphere, 298.15 * unit.kelvin, 50)\n",
    "_system_generator = SystemGenerator(forcefields=forcefield_files, barostat=barostat, forcefield_kwargs=forcefield_kwargs,\n",
    "                                    small_molecule_forcefield='openff-2.0.0', molecules=molecules, cache=None, periodic_forcefield_kwargs=app.PME)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 11,
   "id": "c363208e",
   "metadata": {},
   "outputs": [],
   "source": [
    "from perses.rjmc.topology_proposal import TopologyProposal, SmallMoleculeSetProposalEngine\n",
    "from perses.rjmc.geometry import FFAllAngleGeometryEngine\n",
    "\n",
    "proposal_engine = SmallMoleculeSetProposalEngine([_ligand_oemol_old, _ligand_oemol_new], _system_generator, residue_name='MOL')\n",
    "proposal_engine.map_strength = 'default'\n",
    "proposal_engine.atom_expr = None\n",
    "proposal_engine.bond_expr = None\n",
    "proposal_engine.use_given_geometries = True\n",
    "proposal_engine.given_geometries_tolerance = 0.5 * unit.angstroms"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 12,
   "id": "6adc0bfd",
   "metadata": {},
   "outputs": [],
   "source": [
    "import numpy as np\n",
    "\n",
    "def _solvate_gas_system(topology, positions, system_generator):\n",
    "    from simtk.openmm.app import PDBFile\n",
    "    modeller = app.Modeller(topology, positions)\n",
    "    solvated_topology = modeller.getTopology()\n",
    "    solvated_positions = modeller.getPositions()\n",
    "    solvated_positions = unit.quantity.Quantity(value = np.array([list(atom_pos) for atom_pos in solvated_positions.value_in_unit_system(unit.md_unit_system)]), unit = unit.nanometers)\n",
    "    solvated_system = system_generator.create_system(solvated_topology)\n",
    "    return solvated_topology, solvated_positions, solvated_system"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 13,
   "id": "cd4d7906",
   "metadata": {
    "scrolled": true
   },
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "INFO:openmmforcefields.generators.template_generators:Requested to generate parameters for residue <Residue 0 (MOL) of chain 0>\n",
      "INFO:openmmforcefields.generators.template_generators:Generating a residue template for [H]c1c(c(c(c(c1[H])C2=C(c3c(nc(nc3N(C2=O)C([H])([H])[H])N([H])C4(C(C(OC(C4([H])[H])([H])[H])([H])[H])([H])[H])[H])[H])[H])Cl)[H])[H] using openff-2.0.0\n",
      "INFO:numexpr.utils:NumExpr defaulting to 8 threads.\n",
      "DEBUG:pint.util:Changing app registry from <pint.registry.LazyRegistry object at 0x7f7602295d00> to <pint.registry.UnitRegistry object at 0x7f75fdc658b0>.\n",
      "DEBUG:openmmforcefields.generators.template_generators:Generating parameters...\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:Finding matches for ProperTorsionHandler\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#6X4:2]-[#6X4:3]-[*:4]                                    :       72 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#6X4:2]-[#6X4:3]-[#6X4:4]                              :        4 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4:2]-[#6X4:3]-[#1:4]                                  :       24 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4:2]-[#6X4:3]-[#6X4:4]                                :       10 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8X2:1]-[#6X4:2]-[#6X4:3]-[#8X2:4]                              :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#9:1]-[#6X4:2]-[#6X4:3]-[#9:4]                                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#17:1]-[#6X4:2]-[#6X4:3]-[#17:4]                                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#35:1]-[#6X4:2]-[#6X4:3]-[#35:4]                                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4:2]-[#6X4:3]-[#8X2:4]                                :        4 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4:2]-[#6X4:3]-[#9:4]                                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4:2]-[#6X4:3]-[#17:4]                                 :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4:2]-[#6X4:3]-[#35:4]                                 :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#6X4:2]-[#6X4;r3:3]-[*:4]                                 :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#6X4:2]-[#6X4;r3:3]-[#6X4;r3:4]                           :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#6X4;r3:2]-@[#6X4;r3:3]-[*:4]                             :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4;r3:1]-[#6X4;r3:2]-[#6X4;r3:3]-[*:4]                        :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#6X3:2]-[#6X4:3]-[*:4]                                    :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#6X4:2]-[#6X3:3]=[*:4]                                    :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4:2]-[#6X3:3]=[#8X1:4]                                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4:2]-[#6X3:3]=[#6X3:4]                                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#6X4:2]-[#6X3:3]=[#6X3:4]                              :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7X3:1]-[#6X4:2]-[#6X3:3]-[#7X3:4]                              :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#6X4:2]-[#6X3:3]-[#7X3:4]                              :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16X2,#16X1-1,#16X3+1:1]-[#6X3:2]-[#6X4:3]-[#1:4]               :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16X2,#16X1-1,#16X3+1:1]-[#6X3:2]-[#6X4:3]-[#7X4,#7X3:4]        :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16X2,#16X1-1,#16X3+1:1]-[#6X3:2]-[#6X4:3]-[#7X3$(*-[#6X3,#6X2]):4] :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#6X4;r3:2]-[#6X3:3]~[*:4]                                 :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#6X4;r3:2]-[#6X3:3]~[#6X3:4]                           :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4;r3:2]-[#6X3:3]~[#6X3:4]                             :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#6X4;r3:2]-[#6X3:3]-[#7X3:4]                           :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#6X4;r3:2]-[#6X3:3]=[#8X1:4]                           :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#6X4;r3:2]-[#6X3:3]~[#6X3:4]                           :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7X3:1]-[#6X4;r3:2]-[#6X3:3]~[#6X3:4]                           :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3:3]~[#6X3:4]                      :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3;r6:3]:[#6X3;r6:4]                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3;r5:3]-;@[#6X3;r5:4]              :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3;r5:3]=;@[#6X3;r5:4]              :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3:3]-[#6X4:4]                      :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3;r6:3]:[#7X2;r6:4]                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3:3]=[#7X2:4]                      :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3:3]-[#8X2:4]                      :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3:3]=[#8X1:4]                      :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#6X3:2]-[#6X3:3]~[*:4]                                    :       24 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#6X3:2]:[#6X3:3]~[*:4]                                    :       64 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-,:[#6X3:2]=[#6X3:3]-,:[*:4]                                :        8 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#6X3:2]=[#6X3:3]-[#6X4:4]                              :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#6X3:2]-[#6X3$(*=[#8,#16,#7]):3]~[*:4]                    :        4 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]=[#6X3:2]-[#6X3:3]=[#8X1:4]                              :        1 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7a:2]:[#6a:3]~[*:4]                                      :        8 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#6X4:2]-[#7X4:3]-[*:4]                                    :        0 matches\n",
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      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#6X4:2]-[#7X3:3]-[#7X2:4]=[#6]                            :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4:2]-[#7X3:3]-[#7X2:4]=[#6]                           :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#6X4:2]-[#7X3:3]-[#7X2:4]=[#7X2,#8X1]                     :        0 matches\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4:2]-[#7X3:3]-[#7X2:4]=[#7X2,#8X1]                    :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#6X4:2]-[#7X3$(*@1-[*]=,:[*][*]=,:[*]@1):3]-[*:4]         :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4:2]-[#7X3$(*@1-[*]=,:[*][*]=,:[*]@1):3]-[*:4]        :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#6X4:2]-[#7X4,#7X3:3]-[#6X4:4]                         :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#7X4,#7X3:2]-[#6X4;r3:3]-[*:4]                           :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#7X4,#7X3:2]-[#6X4;r3:3]-[#6X4;r3:4]                     :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[!#1:1]-[#7X4,#7X3:2]-[#6X4;r3:3]-[*:4]                          :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[!#1:1]-[#7X4,#7X3:2]-[#6X4;r3:3]-[#6X4;r3:4]                    :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#7X4:2]-[#6X3:3]~[*:4]                                    :        0 matches\n",
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      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#7X3:2]-[#6X4:3]-[#6X3:4]                              :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#6X4:2]-[#7X3:3]-[#6X3:4]=[#8,#16,#7]                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8X2H0:1]-[#6X4:2]-[#7X3:3]-[#6X3:4]                            :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#7X3:2]-[#6X4;r3:3]-[#6X4;r3:4]                        :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X2:2]-[#6X4:3]-[*:4]                                    :        0 matches\n",
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      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]=[#7X2,#7X3+1:2]-[#6X4:3]-[#6X3,#6X4:4]                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X3,#7X2-1:2]-[#6X3:3]~[*:4]                             :       12 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X3,#7X2-1:2]-!@[#6X3:3]~[*:4]                           :        4 matches\n",
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      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#7X3:2]-[#6X3:3]=[#8,#16,#7:4]                           :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#7X3:2]-!@[#6X3:3](=[#8,#16,#7:4])-[#6,#1]                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#7X3:2]-!@[#6X3:3](=[#8,#16,#7:4])-[#6,#1]               :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#7X3:2]-!@[#6X3:3](=[#8,#16,#7:4])-[#7X3]                 :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#7X3;r5:2]-@[#6X3;r5:3]~[*:4]                             :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8X1:1]~[#7X3:2]~[#6X3:3]~[*:4]                                 :        0 matches\n",
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      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]:[#7X2:2]:[#6X3:3]:[#6X3:4]                              :        2 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-,:[#6X3:2]=[#7X2:3]-[*:4]                                  :        0 matches\n",
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      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16X4,#16X3+0:1]-[#7X2:2]=[#6X3:3]-[#7X3:4]                     :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16X4,#16X3+0:1]-[#7X2:2]=[#6X3:3]-[#16X2,#16X3+1:4]            :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7X2:1]~[#7X2:2]-[#6X3:3]~[#6X3:4]                              :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7X2:1]~[#7X2:2]-[#6X4:3]-[#6X3:4]                              :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7X2:1]~[#7X2:2]-[#6X4:3]~[#1:4]                                :        0 matches\n",
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      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#6X4:2]-[#8X2:3]-[#6X3:4]                              :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#8X2:2]-[#6X4:3]-[#8X2:4]                              :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#8X2:2]-[#6X4:3]-[#7X3:4]                              :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#8X2:2]-[#6X4;r3:3]-@[#6X4;r3:4]                       :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#8X2:2]-[#6X4;r3:3]-[#1:4]                             :        0 matches\n",
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      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#8X2:2]-[#6X4;r3:3]-[#6X4;r3:4]                          :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#6X3:2]-[#8X2:3]-[*:4]                                    :        0 matches\n",
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      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#8X2:2]-[#6X3:3]=[#8X1:4]                                :        0 matches\n",
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      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#8X2:2]@[#6X3:3]~[*:4]                                    :        0 matches\n",
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     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#16:2]=,:[#6:3]~[*:4]                                     :        0 matches\n",
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      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-@[#16X2,#16X1-1,#16X3+1:2]-@[#6X3,#7X2;r5:3]=@[#6,#7;r5:4] :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#16X4,#16X3!+1:2]-[#6X4:3]-[*:4]                          :        0 matches\n",
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      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#16X4,#16X3+0:2]-[#6X4:3]~[#6X4:4]                     :        0 matches\n",
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      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6:1]-[#16X4,#16X3+0:2]-[#6X3:3]~[*:4]                          :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#15:2]-[#6:3]-[*:4]                                       :        0 matches\n",
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      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#7X4,#7X3:2]-[#7X4,#7X3:3]-[#1:4]                        :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#7X4,#7X3:2]-[#7X4,#7X3:3]-[#1:4]                      :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#7X4,#7X3:2]-[#7X4,#7X3:3]-[#6X4:4]                    :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#7X4,#7X3:2]-[#7X3$(*~[#6X3,#6X2]):3]~[*:4]               :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#7X3$(*-[#6X3,#6X2]):2]-[#7X3$(*-[#6X3,#6X2]):3]-[*:4]    :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#7X3$(*-[#6X3,#6X2])r5:2]-@[#7X3$(*-[#6X3,#6X2])r5:3]~[*:4] :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]@[#7X2:2]@[#7X2:3]@[#7X2,#6X3:4]                            :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X2:2]-[#7X3:3]~[*:4]                                    :        0 matches\n",
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      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X2:2]=,:[#7X2:3]~[*:4]                                  :        0 matches\n",
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      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#16X2,#16X3+1:2]-[!#6:3]~[*:4]                            :        0 matches\n",
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      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#16X4,#16X3+0:2]-[#7X4,#7X3:3]-[#1:4]                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#16X4,#16X3+0:2]-[#7X4,#7X3:3]-[#6X4:4]                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#16X4,#16X3+0:2]-[#7X4,#7X3:3]-[#6X4:4]                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8X1:1]~[#16X4,#16X3+0:2]-[#7X4,#7X3:3]-[#1:4]                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8X1:1]~[#16X4,#16X3+0:2]-[#7X4,#7X3:3]-[#6X4:4]                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#16X4,#16X3+0:2]-[#7X3:3]-[#6X3:4]                     :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#16X4,#16X3+0:2]-[#7X3:3]-[#6X3:4]                     :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8X1:1]~[#16X4,#16X3+0:2]-[#7X3:3]-[#6X3:4]                     :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8X1:1]~[#16X4,#16X3+0:2]-[#7X3:3]-[#7X2:4]                     :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#16X4,#16X3+0:2]=,:[#7X2:3]-,:[*:4]                       :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#16X4,#16X3+0:2]-[#7X2:3]~[#6X3:4]                     :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8X1:1]~[#16X4,#16X3+0:2]-[#7X2:3]~[#6X3:4]                     :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#16X4,#16X3+0:2]-[#8X2:3]-[*:4]                           :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#16X2,#16X3+1:2]-[#16X2,#16X3+1:3]-[*:4]                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#8X2:2]-[#15:3]~[*:4]                                     :        0 matches\n",
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      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X3:2]-[#15:3]~[*:4]                                     :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#7:2]-[#15:3]=[*:4]                                       :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#7:2]-[#15:3]=[*:4]                                    :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7:2]=[#15:3]~[*:4]                                       :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[*:2]#[*:3]-[*:4]                                          :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[*:2]-[*:3]#[*:4]                                          :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[*:2]=[#6,#7,#16,#15;X2:3]=[*:4]                           :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:122 matches identified\n",
      "INFO:openff.toolkit.typing.engines.smirnoff.parameters:122 torsions added\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:Finding matches for ImproperTorsionHandler\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#6X3:2](~[*:3])~[*:4]                                     :       78 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#6X3:2](~[#8X1:3])~[#8:4]                                 :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X3$(*~[#15,#16](!-[*])):2](~[*:3])~[*:4]                :        0 matches\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X3$(*~[#6X3]):2](~[*:3])~[*:4]                          :       12 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X3$(*~[#7X2]):2](~[*:3])~[*:4]                          :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X3$(*@1-[*]=,:[*][*]=,:[*]@1):2](~[*:3])~[*:4]          :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#6X3:2](=[#7X2,#7X3+1:3])~[#7:4]                          :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:15 matches identified\n",
      "INFO:openff.toolkit.typing.engines.smirnoff.parameters:15 impropers added, each applied in a six-fold trefoil\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:Finding matches for vdWHandler\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]                                                           :       19 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4]                                                    :       12 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4]-[#7,#8,#9,#16,#17,#35]                             :        8 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4](-[#7,#8,#9,#16,#17,#35])-[#7,#8,#9,#16,#17,#35]    :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4](-[#7,#8,#9,#16,#17,#35])(-[#7,#8,#9,#16,#17,#35])-[#7,#8,#9,#16,#17,#35] :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4]~[*+1,*+2]                                          :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X3]                                                    :        6 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X3]~[#7,#8,#9,#16,#17,#35]                             :        1 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X3](~[#7,#8,#9,#16,#17,#35])~[#7,#8,#9,#16,#17,#35]    :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X2]                                                    :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#7]                                                      :        1 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#8]                                                      :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#16]                                                     :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6:1]                                                           :       19 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X2:1]                                                         :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]                                                         :        6 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8:1]                                                           :        2 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8X2H0+0:1]                                                     :        1 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8X2H1+0:1]                                                     :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7:1]                                                           :        4 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16:1]                                                          :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#15:1]                                                          :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#9:1]                                                           :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#17:1]                                                          :        1 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#35:1]                                                          :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#53:1]                                                          :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#3+1:1]                                                         :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#11+1:1]                                                        :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#19+1:1]                                                        :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#37+1:1]                                                        :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#55+1:1]                                                        :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#9X0-1:1]                                                       :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#17X0-1:1]                                                      :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#35X0-1:1]                                                      :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#53X0-1:1]                                                      :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1]-[#8X2H2+0:1]-[#1]                                           :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#8X2H2+0]-[#1]                                           :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:45 matches identified\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:Finding matches for BondHandler\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#6X4:2]                                                :        8 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#6X3:2]                                                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#6X3:2]=[#8X1+0]                                       :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#6X3:2]                                                :        6 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]:[#6X3:2]                                                :       16 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]=[#6X3:2]                                                :        2 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6:1]-[#7:2]                                                    :        5 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#7X3:2]                                                :        3 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#7X3:2]-[#6X3]=[#8X1+0]                                :        1 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1](=[#8X1+0])-[#7X3:2]                                     :        1 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#7X2:2]                                                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]:[#7X2,#7X3+1:2]                                         :        4 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]=[#7X2,#7X3+1:2]                                         :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6:1]-[#8:2]                                                    :        2 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#8X1-1:2]                                              :        0 matches\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#8X2H0:2]                                              :        2 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#8X2:2]                                                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#8X2H1:2]                                              :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3a:1]-[#8X2H0:2]                                             :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1](=[#8X1])-[#8X2H0:2]                                     :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6:1]=[#8X1+0,#8X2+1:2]                                         :        1 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1](~[#8X1])~[#8X1:2]                                       :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]~[#8X2+1:2]~[#6X3]                                       :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X2:1]-[#6:2]                                                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X2:1]-[#6X4:2]                                                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X2:1]=[#6X3:2]                                                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6:1]#[#7:2]                                                    :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X2:1]#[#6X2:2]                                                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X2:1]-[#8X2:2]                                                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X2:1]-[#7:2]                                                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X2:1]=[#7:2]                                                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16:1]=[#6:2]                                                   :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X2:1]=[#16:2]                                                 :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7:1]-[#7:2]                                                    :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7X3:1]-[#7X2:2]                                                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7X2:1]-[#7X2:2]                                                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7:1]:[#7:2]                                                    :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7:1]=[#7:2]                                                    :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7+1:1]=[#7-1:2]                                                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7:1]#[#7:2]                                                    :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7:1]-[#8X2:2]                                                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7:1]~[#8X1:2]                                                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8X2:1]-[#8X2:2]                                                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16:1]-[#6:2]                                                   :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16:1]-[#1:2]                                                   :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16:1]-[#16:2]                                                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16:1]-[#9:2]                                                   :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16:1]-[#17:2]                                                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16:1]-[#35:2]                                                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16:1]-[#53:2]                                                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16X2,#16X1-1,#16X3+1:1]-[#6X4:2]                               :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16X2,#16X1-1,#16X3+1:1]-[#6X3:2]                               :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16X2:1]-[#7:2]                                                 :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16X2:1]-[#8X2:2]                                               :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16X2:1]=[#8X1,#7X2:2]                                          :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16X4,#16X3!+1:1]-[#6:2]                                        :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16X4,#16X3:1]~[#7:2]                                           :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16X4,#16X3:1]-[#8X2:2]                                         :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16X4,#16X3:1]~[#8X1:2]                                         :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#15:1]-[#1:2]                                                   :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#15:1]~[#6:2]                                                   :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#15:1]-[#7:2]                                                   :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#15:1]=[#7:2]                                                   :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#15:1]~[#8X2:2]                                                 :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#15:1]~[#8X1:2]                                                 :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16:1]-[#15:2]                                                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#15:1]=[#16X1:2]                                                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6:1]-[#9:2]                                                    :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#9:2]                                                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6:1]-[#17:2]                                                   :        1 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#17:2]                                                 :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6:1]-[#35:2]                                                   :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#35:2]                                                 :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6:1]-[#53:2]                                                   :        0 matches\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#53:2]                                                 :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7:1]-[#9:2]                                                    :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7:1]-[#17:2]                                                   :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7:1]-[#35:2]                                                   :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7:1]-[#53:2]                                                   :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#15:1]-[#9:2]                                                   :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#15:1]-[#17:2]                                                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#15:1]-[#35:2]                                                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#15:1]-[#53:2]                                                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#1:2]                                                  :       12 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#1:2]                                                  :        6 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X2:1]-[#1:2]                                                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7:1]-[#1:2]                                                    :        1 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8:1]-[#1:2]                                                    :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:48 matches identified\n",
      "INFO:openff.toolkit.typing.engines.smirnoff.parameters:48 bonds added (0 skipped due to constraints)\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:Finding matches for AngleHandler\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#6X4:2]-[*:3]                                             :       72 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4:2]-[#1:3]                                           :       14 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*;r3:1]1~;@[*;r3:2]~;@[*;r3:3]1                                 :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*;r3:1]~;@[*;r3:2]~;!@[*:3]                                     :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~;!@[*;r3:2]~;!@[*:3]                                       :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[*;r3:2]~;!@[*:3]                                         :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6r4:1]-;@[#6r4:2]-;@[#6r4:3]                                   :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[!#1:1]-[#6r4:2]-;!@[!#1:3]                                      :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[!#1:1]-[#6r4:2]-;!@[#1:3]                                       :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#6X3:2]~[*:3]                                             :       78 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X3:2]~[*:3]                                            :       12 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X3:2]-[#1:3]                                           :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*;r6:1]~;@[*;r5:2]~;@[*;r5;x2:3]                                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~;!@[*;X3;r5:2]~;@[*;r5:3]                                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8X1:1]~[#6X3:2]~[#8:3]                                         :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#6X2:2]~[*:3]                                             :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X2:2]~[*:3]                                             :        4 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#7X4,#7X3,#7X2-1:2]-[*:3]                                 :       12 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#7X4,#7X3,#7X2-1:2]-[*:3]                                :        2 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X3$(*~[#6X3,#6X2,#7X2+0]):2]~[*:3]                      :       12 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#7X3$(*~[#6X3,#6X2,#7X2+0]):2]-[*:3]                     :        2 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X2+0:2]~[*:3]                                           :        4 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X2+0:2]~[#6X2:3](~[#16X1])                              :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#7X2+0:2]~[*:3]                                          :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6,#7,#8:1]-[#7X3:2](~[#8X1])~[#8X1:3]                          :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8X1:1]~[#7X3:2]~[#8X1:3]                                       :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X2:2]~[#7X1:3]                                          :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#8:2]-[*:3]                                               :        2 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3,#7:1]~;@[#8;r:2]~;@[#6X3,#7:3]                             :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#8X2+1:2]=[*:3]                                           :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#16X4:2]~[*:3]                                            :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#16X4,#16X3+0:2]-[*:3]                                    :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#16X3$(*~[#8X1,#7X2]):2]~[*:3]                            :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#16X2,#16X3+1:2]~[*:3]                                    :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]=[#16X2:2]=[*:3]                                            :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]=[#16X2:2]=[#8:3]                                           :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#16X2:2]-[#6X3:3]                                      :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#16X2:2]-[#6X4:3]                                      :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#16X2:2]-[#1:3]                                        :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#15:2]~[*:3]                                              :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:84 matches identified\n",
      "INFO:openff.toolkit.typing.engines.smirnoff.parameters:84 angles added (0 skipped due to constraints)\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:Finding matches for LibraryChargeHandler\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#3+1:1]                                                         :        0 matches\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#11+1:1]                                                        :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#19+1:1]                                                        :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#37+1:1]                                                        :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#55+1:1]                                                        :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#9X0-1:1]                                                       :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#17X0-1:1]                                                      :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#35X0-1:1]                                                      :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#53X0-1:1]                                                      :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1]-[#8X2H2+0:1]-[#1]                                           :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#8X2H2+0]-[#1]                                           :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:0 matches identified\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:Entire molecule is not covered. Skipping library charge assignment.\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:Finding matches for ToolkitAM1BCCHandler\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:0 matches identified\n"
     ]
    }
   ],
   "source": [
    "## Vacuum for now - disable cutoff and barostat\n",
    "_system_generator.barostat = None\n",
    "_system_generator.forcefield_kwargs['nonbondedMethod'] = app.NoCutoff\n",
    "\n",
    "_vacuum_topology_old, _vacuum_positions_old, _vacuum_system_old = _solvate_gas_system(_ligand_topology_old,\n",
    "                                                                                      _ligand_positions_old, _system_generator)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 14,
   "id": "eb5ee6af",
   "metadata": {},
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "INFO:proposal_generator:creating current receptor topology by removing small molecule from current topology...\n",
      "INFO:proposal_generator:small molecule start index: 0\n",
      "INFO:proposal_generator:small molecule has 45 atoms.\n",
      "INFO:proposal_generator:old alchemical atom indices: range(0, 45)\n",
      "INFO:proposal_generator:proposed mol detected with smiles [H]c1c(c(c(c(c1[H])Oc2c(c3c(nc(nc3n(c2=O)C([H])([H])[H])N([H])C4(C(C(OC(C4([H])[H])([H])[H])([H])[H])([H])[H])[H])[H])[H])F)[H])[H] and logp_proposal of 0.0\n",
      "INFO:proposal_generator:conducting proposal from [H]c1c(c(c(c(c1[H])c2c(c3c(nc(nc3n(c2=O)C([H])([H])[H])N([H])C4(C(C(OC(C4([H])[H])([H])[H])([H])[H])([H])[H])[H])[H])[H])Cl)[H])[H] to [H]c1c(c(c(c(c1[H])Oc2c(c3c(nc(nc3n(c2=O)C([H])([H])[H])N([H])C4(C(C(OC(C4([H])[H])([H])[H])([H])[H])([H])[H])[H])[H])[H])F)[H])[H]...\n",
      "INFO:proposal_generator:building new topology with proposed molecule and current receptor topology...\n",
      "INFO:proposal_generator:\tsetting proposed oemol title to MOL\n",
      "INFO:proposal_generator:\tcreating mol topology from oemol...\n",
      "INFO:proposal_generator:\tappending current receptor topology to new mol topology...\n",
      "INFO:proposal_generator:new molecule has a start index of 0 and 46 atoms.\n",
      "INFO:proposal_generator:proceeding to build the new system from the new topology...\n",
      "INFO:openmmforcefields.generators.template_generators:Requested to generate parameters for residue <Residue 0 (MOL) of chain 1>\n",
      "INFO:openmmforcefields.generators.template_generators:Generating a residue template for [H]c1c(c(c(c(c1[H])OC2=C(c3c(nc(nc3N(C2=O)C([H])([H])[H])N([H])C4(C(C(OC(C4([H])[H])([H])[H])([H])[H])([H])[H])[H])[H])[H])F)[H])[H] using openff-2.0.0\n",
      "DEBUG:openmmforcefields.generators.template_generators:Generating parameters...\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:Finding matches for ProperTorsionHandler\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#6X4:2]-[#6X4:3]-[*:4]                                    :       72 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#6X4:2]-[#6X4:3]-[#6X4:4]                              :        4 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4:2]-[#6X4:3]-[#1:4]                                  :       24 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4:2]-[#6X4:3]-[#6X4:4]                                :       10 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8X2:1]-[#6X4:2]-[#6X4:3]-[#8X2:4]                              :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#9:1]-[#6X4:2]-[#6X4:3]-[#9:4]                                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#17:1]-[#6X4:2]-[#6X4:3]-[#17:4]                                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#35:1]-[#6X4:2]-[#6X4:3]-[#35:4]                                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4:2]-[#6X4:3]-[#8X2:4]                                :        4 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4:2]-[#6X4:3]-[#9:4]                                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4:2]-[#6X4:3]-[#17:4]                                 :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4:2]-[#6X4:3]-[#35:4]                                 :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#6X4:2]-[#6X4;r3:3]-[*:4]                                 :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#6X4:2]-[#6X4;r3:3]-[#6X4;r3:4]                           :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#6X4;r3:2]-@[#6X4;r3:3]-[*:4]                             :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4;r3:1]-[#6X4;r3:2]-[#6X4;r3:3]-[*:4]                        :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#6X3:2]-[#6X4:3]-[*:4]                                    :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#6X4:2]-[#6X3:3]=[*:4]                                    :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4:2]-[#6X3:3]=[#8X1:4]                                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4:2]-[#6X3:3]=[#6X3:4]                                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#6X4:2]-[#6X3:3]=[#6X3:4]                              :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7X3:1]-[#6X4:2]-[#6X3:3]-[#7X3:4]                              :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#6X4:2]-[#6X3:3]-[#7X3:4]                              :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16X2,#16X1-1,#16X3+1:1]-[#6X3:2]-[#6X4:3]-[#1:4]               :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16X2,#16X1-1,#16X3+1:1]-[#6X3:2]-[#6X4:3]-[#7X4,#7X3:4]        :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16X2,#16X1-1,#16X3+1:1]-[#6X3:2]-[#6X4:3]-[#7X3$(*-[#6X3,#6X2]):4] :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#6X4;r3:2]-[#6X3:3]~[*:4]                                 :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#6X4;r3:2]-[#6X3:3]~[#6X3:4]                           :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4;r3:2]-[#6X3:3]~[#6X3:4]                             :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#6X4;r3:2]-[#6X3:3]-[#7X3:4]                           :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#6X4;r3:2]-[#6X3:3]=[#8X1:4]                           :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#6X4;r3:2]-[#6X3:3]~[#6X3:4]                           :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7X3:1]-[#6X4;r3:2]-[#6X3:3]~[#6X3:4]                           :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3:3]~[#6X3:4]                      :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3;r6:3]:[#6X3;r6:4]                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3;r5:3]-;@[#6X3;r5:4]              :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3;r5:3]=;@[#6X3;r5:4]              :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3:3]-[#6X4:4]                      :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3;r6:3]:[#7X2;r6:4]                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3:3]=[#7X2:4]                      :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3:3]-[#8X2:4]                      :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3:3]=[#8X1:4]                      :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#6X3:2]-[#6X3:3]~[*:4]                                    :       16 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#6X3:2]:[#6X3:3]~[*:4]                                    :       64 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-,:[#6X3:2]=[#6X3:3]-,:[*:4]                                :        8 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#6X3:2]=[#6X3:3]-[#6X4:4]                              :        0 matches\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#6X3:2]-[#6X3$(*=[#8,#16,#7]):3]~[*:4]                    :        4 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]=[#6X3:2]-[#6X3:3]=[#8X1:4]                              :        1 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7a:2]:[#6a:3]~[*:4]                                      :        8 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#6X4:2]-[#7X4:3]-[*:4]                                    :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#6X4:2]-[#7X3:3]-[*:4]                                    :       12 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#6X4:2]-[#7X3:3]-[#7X2:4]=[#6]                            :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4:2]-[#7X3:3]-[#7X2:4]=[#6]                           :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#6X4:2]-[#7X3:3]-[#7X2:4]=[#7X2,#8X1]                     :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4:2]-[#7X3:3]-[#7X2:4]=[#7X2,#8X1]                    :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#6X4:2]-[#7X3$(*@1-[*]=,:[*][*]=,:[*]@1):3]-[*:4]         :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4:2]-[#7X3$(*@1-[*]=,:[*][*]=,:[*]@1):3]-[*:4]        :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#6X4:2]-[#7X4,#7X3:3]-[#6X4:4]                         :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#7X4,#7X3:2]-[#6X4;r3:3]-[*:4]                           :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#7X4,#7X3:2]-[#6X4;r3:3]-[#6X4;r3:4]                     :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[!#1:1]-[#7X4,#7X3:2]-[#6X4;r3:3]-[*:4]                          :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[!#1:1]-[#7X4,#7X3:2]-[#6X4;r3:3]-[#6X4;r3:4]                    :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#7X4:2]-[#6X3:3]~[*:4]                                    :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#6X4:2]-[#7X3$(*~[#6X3,#6X2]):3]~[*:4]                    :       12 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#6X4:2]-[#7X3$(*~[#8X1]):3]~[#8X1:4]                      :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#7X3:2]-[#6X4:3]-[#6X3:4]                              :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#6X4:2]-[#7X3:3]-[#6X3:4]=[#8,#16,#7]                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8X2H0:1]-[#6X4:2]-[#7X3:3]-[#6X3:4]                            :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#7X3:2]-[#6X4;r3:3]-[#6X4;r3:4]                        :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X2:2]-[#6X4:3]-[*:4]                                    :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]=[#7X2,#7X3+1:2]-[#6X4:3]-[#1:4]                         :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]=[#7X2,#7X3+1:2]-[#6X4:3]-[#6X3,#6X4:4]                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X3,#7X2-1:2]-[#6X3:3]~[*:4]                             :       12 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X3,#7X2-1:2]-!@[#6X3:3]~[*:4]                           :        4 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#7X3:2]-[#6X3$(*=[#8,#16,#7]):3]~[*:4]                    :        4 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#7X3:2]-[#6X3:3]=[#8,#16,#7:4]                           :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#7X3:2]-!@[#6X3:3](=[#8,#16,#7:4])-[#6,#1]                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#7X3:2]-!@[#6X3:3](=[#8,#16,#7:4])-[#6,#1]               :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#7X3:2]-!@[#6X3:3](=[#8,#16,#7:4])-[#7X3]                 :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#7X3;r5:2]-@[#6X3;r5:3]~[*:4]                             :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8X1:1]~[#7X3:2]~[#6X3:3]~[*:4]                                 :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]=[#7X2,#7X3+1:2]-[#6X3:3]-[*:4]                             :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]=[#7X2,#7X3+1:2]-[#6X3:3]=,:[*:4]                           :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X2,#7X3$(*~[#8X1]):2]:[#6X3:3]~[*:4]                    :        8 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]:[#7X2:2]:[#6X3:3]:[#6X3:4]                              :        2 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-,:[#6X3:2]=[#7X2:3]-[*:4]                                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#7X3+1:2]=,:[#6X3:3]-,:[*:4]                              :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16X4,#16X3+0:1]-[#7X2:2]=[#6X3:3]-[#7X3:4]                     :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16X4,#16X3+0:1]-[#7X2:2]=[#6X3:3]-[#16X2,#16X3+1:4]            :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7X2:1]~[#7X2:2]-[#6X3:3]~[#6X3:4]                              :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7X2:1]~[#7X2:2]-[#6X4:3]-[#6X3:4]                              :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7X2:1]~[#7X2:2]-[#6X4:3]~[#1:4]                                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#6X4:2]-[#8X2:3]-[#1:4]                                   :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#6X4:2]-[#8X2H1:3]-[#1:4]                              :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#6X4:2]-[#8X2H0:3]-[*:4]                                  :        6 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#6X4:2]-[#8X2H0:3]-[#6X4:4]                            :        2 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#6X4:2]-[#8X2:3]-[#6X3:4]                              :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#8X2:2]-[#6X4:3]-[#8X2:4]                              :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#8X2:2]-[#6X4:3]-[#7X3:4]                              :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#8X2:2]-[#6X4;r3:3]-@[#6X4;r3:4]                       :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#8X2:2]-[#6X4;r3:3]-[#1:4]                             :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#8X2:2]-[#6X4;r3:3]-[#1:4]                               :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#8X2:2]-[#6X4;r3:3]-[#6X4:4]                             :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#8X2:2]-[#6X4;r3:3]-[#6X4;r3:4]                          :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#6X3:2]-[#8X2:3]-[*:4]                                    :        4 matches\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#6X3:2]-[#8X2:3]-[#1:4]                                   :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#6X3:2](=[#8,#16,#7])-[#8X2H0:3]-[*:4]                    :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#6X3:2](=[#8,#16,#7])-[#8:3]-[#1:4]                       :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#8X2:2]-[#6X3:3]=[#8X1:4]                                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8,#16,#7:1]=[#6X3:2]-[#8X2H0:3]-[#6X4:4]                       :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#8X2:2]@[#6X3:3]~[*:4]                                    :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#8X2+1:2]=[#6X3:3]-[*:4]                                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]=[#8X2+1:2]-[#6:3]~[*:4]                                    :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#16:2]=,:[#6:3]~[*:4]                                     :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#16X2,#16X3+1:2]-[#6:3]~[*:4]                             :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#16X2,#16X3+1:2]-[#6:3]-[#1:4]                            :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-@[#16X2,#16X1-1,#16X3+1:2]-@[#6X3,#7X2;r5:3]=@[#6,#7;r5:4] :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#16X4,#16X3!+1:2]-[#6X4:3]-[*:4]                          :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#16X4,#16X3+0:2]-[#6X4:3]-[#1:4]                       :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#16X4,#16X3+0:2]-[#6X4:3]~[#6X4:4]                     :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#16X4,#16X3+0:2]-[#6X3:3]~[*:4]                           :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6:1]-[#16X4,#16X3+0:2]-[#6X3:3]~[*:4]                          :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#15:2]-[#6:3]-[*:4]                                       :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#15:2]-[#6X3:3]~[*:4]                                     :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#8:2]-[#8:3]-[*:4]                                        :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#8:2]-[#8H1:3]-[*:4]                                      :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#8X2:2]-[#7:3]~[*:4]                                      :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#8X2r5:2]-;@[#7X3r5:3]~[*:4]                              :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#8X2r5:2]-;@[#7X2r5:3]~[*:4]                              :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#7X4,#7X3:2]-[#7X4,#7X3:3]-[*:4]                          :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#7X4,#7X3:2]-[#7X4,#7X3:3]-[#1:4]                        :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#7X4,#7X3:2]-[#7X4,#7X3:3]-[#1:4]                      :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#7X4,#7X3:2]-[#7X4,#7X3:3]-[#6X4:4]                    :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#7X4,#7X3:2]-[#7X3$(*~[#6X3,#6X2]):3]~[*:4]               :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#7X3$(*-[#6X3,#6X2]):2]-[#7X3$(*-[#6X3,#6X2]):3]-[*:4]    :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#7X3$(*-[#6X3,#6X2])r5:2]-@[#7X3$(*-[#6X3,#6X2])r5:3]~[*:4] :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]@[#7X2:2]@[#7X2:3]@[#7X2,#6X3:4]                            :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X2:2]-[#7X3:3]~[*:4]                                    :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]=[#7X2:2]-[#7X2:3]=[*:4]                                    :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X2:2]=,:[#7X2:3]~[*:4]                                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X3+1:2]=,:[#7X2:3]~[*:4]                                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#16X2,#16X3+1:2]-[!#6:3]~[*:4]                            :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#16X4,#16X3+0:2]-[#7:3]~[*:4]                             :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#16X4,#16X3+0:2]-[#7X4,#7X3:3]-[#1:4]                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#16X4,#16X3+0:2]-[#7X4,#7X3:3]-[#1:4]                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#16X4,#16X3+0:2]-[#7X4,#7X3:3]-[#6X4:4]                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#16X4,#16X3+0:2]-[#7X4,#7X3:3]-[#6X4:4]                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8X1:1]~[#16X4,#16X3+0:2]-[#7X4,#7X3:3]-[#1:4]                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8X1:1]~[#16X4,#16X3+0:2]-[#7X4,#7X3:3]-[#6X4:4]                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#16X4,#16X3+0:2]-[#7X3:3]-[#6X3:4]                     :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#16X4,#16X3+0:2]-[#7X3:3]-[#6X3:4]                     :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8X1:1]~[#16X4,#16X3+0:2]-[#7X3:3]-[#6X3:4]                     :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8X1:1]~[#16X4,#16X3+0:2]-[#7X3:3]-[#7X2:4]                     :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#16X4,#16X3+0:2]=,:[#7X2:3]-,:[*:4]                       :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#16X4,#16X3+0:2]-[#7X2:3]~[#6X3:4]                     :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8X1:1]~[#16X4,#16X3+0:2]-[#7X2:3]~[#6X3:4]                     :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#16X4,#16X3+0:2]-[#8X2:3]-[*:4]                           :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#16X2,#16X3+1:2]-[#16X2,#16X3+1:3]-[*:4]                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#8X2:2]-[#15:3]~[*:4]                                     :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8X2:1]-[#15:2]-[#8X2:3]-[#6X4:4]                               :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X3:2]-[#15:3]~[*:4]                                     :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#7:2]-[#15:3]=[*:4]                                       :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#7:2]-[#15:3]=[*:4]                                    :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7:2]=[#15:3]~[*:4]                                       :        0 matches\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[*:2]#[*:3]-[*:4]                                          :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[*:2]-[*:3]#[*:4]                                          :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[*:2]=[#6,#7,#16,#15;X2:3]=[*:4]                           :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:122 matches identified\n",
      "INFO:openff.toolkit.typing.engines.smirnoff.parameters:122 torsions added\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:Finding matches for ImproperTorsionHandler\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#6X3:2](~[*:3])~[*:4]                                     :       78 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#6X3:2](~[#8X1:3])~[#8:4]                                 :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X3$(*~[#15,#16](!-[*])):2](~[*:3])~[*:4]                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X3$(*~[#6X3]):2](~[*:3])~[*:4]                          :       12 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X3$(*~[#7X2]):2](~[*:3])~[*:4]                          :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X3$(*@1-[*]=,:[*][*]=,:[*]@1):2](~[*:3])~[*:4]          :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#6X3:2](=[#7X2,#7X3+1:3])~[#7:4]                          :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:15 matches identified\n",
      "INFO:openff.toolkit.typing.engines.smirnoff.parameters:15 impropers added, each applied in a six-fold trefoil\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:Finding matches for vdWHandler\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]                                                           :       19 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4]                                                    :       12 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4]-[#7,#8,#9,#16,#17,#35]                             :        8 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4](-[#7,#8,#9,#16,#17,#35])-[#7,#8,#9,#16,#17,#35]    :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4](-[#7,#8,#9,#16,#17,#35])(-[#7,#8,#9,#16,#17,#35])-[#7,#8,#9,#16,#17,#35] :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4]~[*+1,*+2]                                          :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X3]                                                    :        6 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X3]~[#7,#8,#9,#16,#17,#35]                             :        1 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X3](~[#7,#8,#9,#16,#17,#35])~[#7,#8,#9,#16,#17,#35]    :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X2]                                                    :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#7]                                                      :        1 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#8]                                                      :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#16]                                                     :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6:1]                                                           :       19 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X2:1]                                                         :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]                                                         :        6 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8:1]                                                           :        3 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8X2H0+0:1]                                                     :        2 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8X2H1+0:1]                                                     :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7:1]                                                           :        4 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16:1]                                                          :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#15:1]                                                          :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#9:1]                                                           :        1 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#17:1]                                                          :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#35:1]                                                          :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#53:1]                                                          :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#3+1:1]                                                         :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#11+1:1]                                                        :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#19+1:1]                                                        :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#37+1:1]                                                        :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#55+1:1]                                                        :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#9X0-1:1]                                                       :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#17X0-1:1]                                                      :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#35X0-1:1]                                                      :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#53X0-1:1]                                                      :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1]-[#8X2H2+0:1]-[#1]                                           :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#8X2H2+0]-[#1]                                           :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:46 matches identified\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:Finding matches for BondHandler\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#6X4:2]                                                :        8 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#6X3:2]                                                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#6X3:2]=[#8X1+0]                                       :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#6X3:2]                                                :        4 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]:[#6X3:2]                                                :       16 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]=[#6X3:2]                                                :        2 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6:1]-[#7:2]                                                    :        5 matches\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#7X3:2]                                                :        3 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#7X3:2]-[#6X3]=[#8X1+0]                                :        1 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1](=[#8X1+0])-[#7X3:2]                                     :        1 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#7X2:2]                                                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]:[#7X2,#7X3+1:2]                                         :        4 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]=[#7X2,#7X3+1:2]                                         :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6:1]-[#8:2]                                                    :        4 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#8X1-1:2]                                              :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#8X2H0:2]                                              :        2 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#8X2:2]                                                :        2 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#8X2H1:2]                                              :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3a:1]-[#8X2H0:2]                                             :        1 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1](=[#8X1])-[#8X2H0:2]                                     :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6:1]=[#8X1+0,#8X2+1:2]                                         :        1 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1](~[#8X1])~[#8X1:2]                                       :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]~[#8X2+1:2]~[#6X3]                                       :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X2:1]-[#6:2]                                                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X2:1]-[#6X4:2]                                                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X2:1]=[#6X3:2]                                                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6:1]#[#7:2]                                                    :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X2:1]#[#6X2:2]                                                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X2:1]-[#8X2:2]                                                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X2:1]-[#7:2]                                                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X2:1]=[#7:2]                                                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16:1]=[#6:2]                                                   :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X2:1]=[#16:2]                                                 :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7:1]-[#7:2]                                                    :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7X3:1]-[#7X2:2]                                                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7X2:1]-[#7X2:2]                                                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7:1]:[#7:2]                                                    :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7:1]=[#7:2]                                                    :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7+1:1]=[#7-1:2]                                                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7:1]#[#7:2]                                                    :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7:1]-[#8X2:2]                                                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7:1]~[#8X1:2]                                                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8X2:1]-[#8X2:2]                                                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16:1]-[#6:2]                                                   :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16:1]-[#1:2]                                                   :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16:1]-[#16:2]                                                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16:1]-[#9:2]                                                   :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16:1]-[#17:2]                                                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16:1]-[#35:2]                                                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16:1]-[#53:2]                                                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16X2,#16X1-1,#16X3+1:1]-[#6X4:2]                               :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16X2,#16X1-1,#16X3+1:1]-[#6X3:2]                               :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16X2:1]-[#7:2]                                                 :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16X2:1]-[#8X2:2]                                               :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16X2:1]=[#8X1,#7X2:2]                                          :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16X4,#16X3!+1:1]-[#6:2]                                        :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16X4,#16X3:1]~[#7:2]                                           :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16X4,#16X3:1]-[#8X2:2]                                         :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16X4,#16X3:1]~[#8X1:2]                                         :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#15:1]-[#1:2]                                                   :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#15:1]~[#6:2]                                                   :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#15:1]-[#7:2]                                                   :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#15:1]=[#7:2]                                                   :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#15:1]~[#8X2:2]                                                 :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#15:1]~[#8X1:2]                                                 :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16:1]-[#15:2]                                                  :        0 matches\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#15:1]=[#16X1:2]                                                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6:1]-[#9:2]                                                    :        1 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#9:2]                                                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6:1]-[#17:2]                                                   :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#17:2]                                                 :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6:1]-[#35:2]                                                   :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#35:2]                                                 :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6:1]-[#53:2]                                                   :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#53:2]                                                 :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7:1]-[#9:2]                                                    :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7:1]-[#17:2]                                                   :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7:1]-[#35:2]                                                   :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7:1]-[#53:2]                                                   :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#15:1]-[#9:2]                                                   :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#15:1]-[#17:2]                                                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#15:1]-[#35:2]                                                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#15:1]-[#53:2]                                                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#1:2]                                                  :       12 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#1:2]                                                  :        6 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X2:1]-[#1:2]                                                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7:1]-[#1:2]                                                    :        1 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8:1]-[#1:2]                                                    :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:49 matches identified\n",
      "INFO:openff.toolkit.typing.engines.smirnoff.parameters:49 bonds added (0 skipped due to constraints)\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:Finding matches for AngleHandler\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#6X4:2]-[*:3]                                             :       72 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4:2]-[#1:3]                                           :       14 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*;r3:1]1~;@[*;r3:2]~;@[*;r3:3]1                                 :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*;r3:1]~;@[*;r3:2]~;!@[*:3]                                     :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~;!@[*;r3:2]~;!@[*:3]                                       :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[*;r3:2]~;!@[*:3]                                         :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6r4:1]-;@[#6r4:2]-;@[#6r4:3]                                   :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[!#1:1]-[#6r4:2]-;!@[!#1:3]                                      :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[!#1:1]-[#6r4:2]-;!@[#1:3]                                       :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#6X3:2]~[*:3]                                             :       78 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X3:2]~[*:3]                                            :       12 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X3:2]-[#1:3]                                           :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*;r6:1]~;@[*;r5:2]~;@[*;r5;x2:3]                                :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~;!@[*;X3;r5:2]~;@[*;r5:3]                                  :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8X1:1]~[#6X3:2]~[#8:3]                                         :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#6X2:2]~[*:3]                                             :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X2:2]~[*:3]                                             :        4 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#7X4,#7X3,#7X2-1:2]-[*:3]                                 :       12 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#7X4,#7X3,#7X2-1:2]-[*:3]                                :        2 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X3$(*~[#6X3,#6X2,#7X2+0]):2]~[*:3]                      :       12 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#7X3$(*~[#6X3,#6X2,#7X2+0]):2]-[*:3]                     :        2 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X2+0:2]~[*:3]                                           :        4 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X2+0:2]~[#6X2:3](~[#16X1])                              :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#7X2+0:2]~[*:3]                                          :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6,#7,#8:1]-[#7X3:2](~[#8X1])~[#8X1:3]                          :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8X1:1]~[#7X3:2]~[#8X1:3]                                       :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X2:2]~[#7X1:3]                                          :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#8:2]-[*:3]                                               :        4 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3,#7:1]~;@[#8;r:2]~;@[#6X3,#7:3]                             :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#8X2+1:2]=[*:3]                                           :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#16X4:2]~[*:3]                                            :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#16X4,#16X3+0:2]-[*:3]                                    :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#16X3$(*~[#8X1,#7X2]):2]~[*:3]                            :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#16X2,#16X3+1:2]~[*:3]                                    :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]=[#16X2:2]=[*:3]                                            :        0 matches\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]=[#16X2:2]=[#8:3]                                           :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#16X2:2]-[#6X3:3]                                      :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#16X2:2]-[#6X4:3]                                      :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#16X2:2]-[#1:3]                                        :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#15:2]~[*:3]                                              :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:85 matches identified\n",
      "INFO:openff.toolkit.typing.engines.smirnoff.parameters:85 angles added (0 skipped due to constraints)\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:Finding matches for LibraryChargeHandler\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#3+1:1]                                                         :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#11+1:1]                                                        :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#19+1:1]                                                        :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#37+1:1]                                                        :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#55+1:1]                                                        :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#9X0-1:1]                                                       :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#17X0-1:1]                                                      :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#35X0-1:1]                                                      :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#53X0-1:1]                                                      :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1]-[#8X2H2+0:1]-[#1]                                           :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#8X2H2+0]-[#1]                                           :        0 matches\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:0 matches identified\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:Entire molecule is not covered. Skipping library charge assignment.\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:Finding matches for ToolkitAM1BCCHandler\n",
      "DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:0 matches identified\n",
      "INFO:proposal_generator:determining atom map between old and new molecules...\n",
      "INFO:proposal_generator:the atom map is not specified; proceeding to generate an atom map...\n",
      "INFO:proposal_generator:Using given geometries...\n",
      "INFO:proposal_generator:Proposed transformation would delete 11 atoms and create 12 atoms.\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "in constraint_repairs\n",
      "3 12 0.10853584959160001 nm\n",
      "5 13 0.10853584959160001 nm\n",
      "6 14 0.10938994926340001 nm\n",
      "6 15 0.10938994926340001 nm\n",
      "6 16 0.10938994926340001 nm\n",
      "11 17 0.10194818650269999 nm\n",
      "19 25 0.10853584959160001 nm\n",
      "20 26 0.10853584959160001 nm\n",
      "23 28 0.10853584959160001 nm\n",
      "24 29 0.10853584959160001 nm\n",
      "30 36 0.10938994926340001 nm\n",
      "30 37 0.10938994926340001 nm\n",
      "31 38 0.10938994926340001 nm\n",
      "31 39 0.10938994926340001 nm\n",
      "32 40 0.10938994926340001 nm\n",
      "33 41 0.10938994926340001 nm\n",
      "33 42 0.10938994926340001 nm\n",
      "34 43 0.10938994926340001 nm\n",
      "34 44 0.10938994926340001 nm\n",
      "3 13 0.10853584959160001 nm\n",
      "5 14 0.10853584959160001 nm\n",
      "7 15 0.10938994926340001 nm\n",
      "7 16 0.10938994926340001 nm\n",
      "7 17 0.10938994926340001 nm\n",
      "12 18 0.10194818650269999 nm\n",
      "19 25 0.10938994926340001 nm\n",
      "19 26 0.10938994926340001 nm\n",
      "20 27 0.10938994926340001 nm\n",
      "20 28 0.10938994926340001 nm\n",
      "21 29 0.10938994926340001 nm\n",
      "22 30 0.10938994926340001 nm\n",
      "22 31 0.10938994926340001 nm\n",
      "23 32 0.10938994926340001 nm\n",
      "23 33 0.10938994926340001 nm\n",
      "35 41 0.10853584959160001 nm\n",
      "36 42 0.10853584959160001 nm\n",
      "39 44 0.10853584959160001 nm\n",
      "40 45 0.10853584959160001 nm\n",
      "0.10853584959160001 nm 0.10853584959160001 nm\n",
      "0.10853584959160001 nm 0.10853584959160001 nm\n",
      "0.10938994926340001 nm 0.10938994926340001 nm\n",
      "0.10938994926340001 nm 0.10938994926340001 nm\n",
      "0.10938994926340001 nm 0.10938994926340001 nm\n",
      "0.10194818650269999 nm 0.10194818650269999 nm\n",
      "0.10938994926340001 nm 0.10938994926340001 nm\n",
      "0.10938994926340001 nm 0.10938994926340001 nm\n",
      "0.10938994926340001 nm 0.10938994926340001 nm\n",
      "0.10938994926340001 nm 0.10938994926340001 nm\n",
      "0.10938994926340001 nm 0.10938994926340001 nm\n",
      "0.10938994926340001 nm 0.10938994926340001 nm\n",
      "0.10938994926340001 nm 0.10938994926340001 nm\n",
      "0.10938994926340001 nm 0.10938994926340001 nm\n",
      "0.10938994926340001 nm 0.10938994926340001 nm\n"
     ]
    }
   ],
   "source": [
    "## call the proposal engine\n",
    "_vacuum_topology_proposal = proposal_engine.propose(_vacuum_system_old,\n",
    "                                                    _vacuum_topology_old,\n",
    "                                                    current_mol_id=0, proposed_mol_id=1)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 15,
   "id": "e42da101",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "{0: 0, 1: 1, 2: 2, 3: 3, 4: 4, 5: 5, 7: 6, 8: 7, 9: 8, 10: 9, 11: 10, 12: 11, 13: 12, 14: 13, 15: 14, 16: 15, 17: 16, 18: 17, 6: 18, 19: 30, 20: 31, 21: 32, 22: 33, 23: 34, 24: 35, 25: 36, 26: 37, 27: 38, 28: 39, 29: 40, 30: 41, 31: 42, 32: 43, 33: 44}\n"
     ]
    }
   ],
   "source": [
    "non_offset_new_to_old_atom_map = proposal_engine.non_offset_new_to_old_atom_map\n",
    "print(non_offset_new_to_old_atom_map)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 16,
   "id": "e3c2b409",
   "metadata": {},
   "outputs": [],
   "source": [
    "def _make_new_deterministic_positions_vacuum(top_proposal, old_pos, _ligand_positions_new):\n",
    "    old_top = top_proposal._old_topology\n",
    "    old_to_new_atom_map = top_proposal._old_to_new_atom_map\n",
    "    \n",
    "    new_positions = np.zeros((top_proposal._new_topology.getNumAtoms(), 3))\n",
    "    new_positions[list(old_to_new_atom_map.values()), :] = old_pos[list(old_to_new_atom_map.keys()),:]\n",
    "    new_indices = top_proposal.unique_new_atoms\n",
    "    old_indices = top_proposal.unique_old_atoms\n",
    "    \n",
    "    if len(new_indices) != 0:\n",
    "        new_positions[list(top_proposal._new_topology.residue_to_oemol_map.keys())] = _ligand_positions_new.value_in_unit_system(unit.md_unit_system)[list(top_proposal._new_topology.residue_to_oemol_map.values())]\n",
    "\n",
    "    return new_positions * unit.nanometers"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 17,
   "id": "06354596",
   "metadata": {},
   "outputs": [],
   "source": [
    "_vacuum_positions_new, _vacuum_logp_proposal = _make_new_deterministic_positions_vacuum(\n",
    "    _vacuum_topology_proposal,\n",
    "    _ligand_positions_old.value_in_unit_system(unit.md_unit_system),\n",
    "    _ligand_positions_new), 0"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 18,
   "id": "0022c6fa",
   "metadata": {},
   "outputs": [],
   "source": [
    "_vacuum_logp_reverse = 0.\n",
    "_vacuum_added_valence_energy, _vacuum_subtracted_valence_energy = None, None\n",
    "_vacuum_forward_neglected_angles, _vacuum_reverse_neglected_angles = None, None"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 19,
   "id": "2c3746cc",
   "metadata": {},
   "outputs": [],
   "source": [
    "top_prop = dict()\n",
    "for phase in ['vacuum']:\n",
    "    top_prop[f'{phase}_topology_proposal'] = _vacuum_topology_proposal\n",
    "    top_prop[f'{phase}_geometry_engine'] = None\n",
    "    top_prop[f'{phase}_old_positions'] = _vacuum_positions_old\n",
    "    top_prop[f'{phase}_new_positions'] = _vacuum_positions_new\n",
    "    top_prop[f'{phase}_added_valence_energy'] = None\n",
    "    top_prop[f'{phase}_subtracted_valence_energy'] = None\n",
    "    top_prop[f'{phase}_logp_proposal'] = 0.\n",
    "    top_prop[f'{phase}_logp_reverse'] = 0.\n",
    "    top_prop[f'{phase}_forward_neglected_angles'] = None\n",
    "    top_prop[f'{phase}_reverse_neglected_angles'] = None"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 20,
   "id": "e909df51",
   "metadata": {},
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "2022-11-13 10:58:08,031:(0.00s):relative:*** Generating vanilla HybridTopologyFactory ***\n",
      "2022-11-13 10:58:08,033:(0.00s):relative:Beginning nonbonded method, total particle, barostat, and exceptions retrieval...\n",
      "2022-11-13 10:58:08,050:(0.02s):relative:Old system forces: dict_keys(['HarmonicBondForce', 'HarmonicAngleForce', 'PeriodicTorsionForce', 'NonbondedForce'])\n",
      "2022-11-13 10:58:08,051:(0.00s):relative:New system forces: dict_keys(['HarmonicBondForce', 'HarmonicAngleForce', 'PeriodicTorsionForce', 'NonbondedForce'])\n",
      "2022-11-13 10:58:08,052:(0.00s):relative:No unknown forces.\n",
      "2022-11-13 10:58:08,054:(0.00s):relative:Nonbonded method to be used (i.e. from old system): 0\n",
      "2022-11-13 10:58:08,055:(0.00s):relative:Adding and mapping old atoms to hybrid system...\n",
      "2022-11-13 10:58:08,058:(0.00s):relative:Adding and mapping new atoms to hybrid system...\n",
      "2022-11-13 10:58:08,060:(0.00s):relative:No MonteCarloBarostat added.\n",
      "2022-11-13 10:58:08,061:(0.00s):relative:getDefaultPeriodicBoxVectors added to hybrid: [Quantity(value=Vec3(x=2.0, y=0.0, z=0.0), unit=nanometer), Quantity(value=Vec3(x=0.0, y=2.0, z=0.0), unit=nanometer), Quantity(value=Vec3(x=0.0, y=0.0, z=2.0), unit=nanometer)]\n",
      "2022-11-13 10:58:08,063:(0.00s):relative:Determined atom classes.\n",
      "2022-11-13 10:58:08,064:(0.00s):relative:Generating old system exceptions dict...\n",
      "2022-11-13 10:58:08,068:(0.00s):relative:Generating new system exceptions dict...\n",
      "2022-11-13 10:58:08,072:(0.00s):relative:Handling constraints...\n",
      "2022-11-13 10:58:08,074:(0.00s):relative:Handling virtual sites...\n",
      "2022-11-13 10:58:08,075:(0.00s):relative:\t_handle_virtual_sites: numVirtualSites: 0\n",
      "2022-11-13 10:58:08,082:(0.01s):relative:Adding bond force terms...\n",
      "2022-11-13 10:58:08,083:(0.00s):relative:Adding angle force terms...\n",
      "2022-11-13 10:58:08,085:(0.00s):relative:Adding torsion force terms...\n",
      "2022-11-13 10:58:08,087:(0.00s):relative:Adding nonbonded force terms...\n",
      "2022-11-13 10:58:08,088:(0.00s):relative:\t_add_nonbonded_force_terms: <openmm.openmm.NonbondedForce; proxy of <Swig Object of type 'OpenMM::NonbondedForce *' at 0x7f75fba9cc00> > added to hybrid system\n",
      "2022-11-13 10:58:08,089:(0.00s):relative:\t_add_nonbonded_force_terms: nonbonded_method is NoCutoff\n",
      "2022-11-13 10:58:08,090:(0.00s):relative:\t_add_nonbonded_force_terms: 0 added to standard nonbonded force\n",
      "2022-11-13 10:58:08,093:(0.00s):relative:\t_add_nonbonded_force_terms: 0 added to sterics_custom_nonbonded force\n",
      "2022-11-13 10:58:08,094:(0.00s):relative:\t_add_nonbonded_force_terms: <openmm.openmm.CustomNonbondedForce; proxy of <Swig Object of type 'OpenMM::CustomNonbondedForce *' at 0x7f75fba060f0> > added to hybrid system\n",
      "2022-11-13 10:58:08,096:(0.00s):relative:Handling harmonic bonds...\n",
      "2022-11-13 10:58:08,097:(0.00s):relative:\thandle_harmonic_bonds: looping through old_system to add relevant terms...\n",
      "2022-11-13 10:58:08,104:(0.01s):relative:\thandle_harmonic_bonds: looping through new_system to add relevant terms...\n",
      "2022-11-13 10:58:08,107:(0.00s):relative:Handling harmonic angles...\n",
      "2022-11-13 10:58:08,108:(0.00s):relative:\thandle_harmonic_angles: looping through old_system to add relevant terms...\n",
      "2022-11-13 10:58:08,139:(0.03s):relative:\thandle_harmonic_angles: looping through new_system to add relevant terms...\n",
      "2022-11-13 10:58:08,144:(0.01s):relative:Handling torsion forces...\n",
      "2022-11-13 10:58:08,146:(0.00s):relative:\thandle_periodic_torsion_forces: looping through old_system to add relevant terms...\n",
      "2022-11-13 10:58:08,150:(0.00s):relative:\thandle_periodic_torsion_forces: looping through new_system to add relevant terms...\n",
      "2022-11-13 10:58:08,166:(0.02s):relative:Handling nonbonded forces...\n",
      "2022-11-13 10:58:08,167:(0.00s):relative:\thandle_nonbonded: looping through all particles in hybrid...\n",
      "2022-11-13 10:58:08,184:(0.02s):relative:\thandle_nonbonded: Handling Interaction Groups...\n",
      "2022-11-13 10:58:08,185:(0.00s):relative:\thandle_nonbonded: Handling Hybrid Exceptions...\n",
      "2022-11-13 10:58:08,190:(0.00s):relative:\thandle_nonbonded: Handling Original Exceptions...\n",
      "2022-11-13 10:58:08,448:(0.26s):relative:Handling unique_new/old interaction exceptions...\n",
      "2022-11-13 10:58:08,450:(0.00s):relative:There are old or new system exceptions...proceeding.\n",
      "2022-11-13 10:58:08,458:(0.01s):relative:Imposing virtual bonds to ensure system is imaged together.\n",
      "2022-11-13 10:58:08,630:(0.17s):relative:\t\t_impose_virtual_bonds: No restraint added because one set is empty (core_atoms=[0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 18, 30, 31, 32, 33, 34, 35], protein_atoms=[])\n"
     ]
    }
   ],
   "source": [
    "from perses.app.setup_relative_calculation import _generate_htf\n",
    "\n",
    "setup_options = {}\n",
    "setup_options['hybrid_topology_factory'] = \"HybridTopologyFactory\"\n",
    "setup_options['softcore_v2'] = True\n",
    "setup_options['anneal_1,4s'] = False\n",
    "setup_options['rmsd_restraint'] = False\n",
    "\n",
    "HTF = _generate_htf('vacuum', top_prop, setup_options)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 21,
   "id": "25b21abe",
   "metadata": {},
   "outputs": [],
   "source": [
    "perses_forces = [force for force in HTF.hybrid_system.getForces()]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 22,
   "id": "b16d5b66",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "21"
      ]
     },
     "execution_count": 22,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "perses_forces[0].getNumBonds()"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "fb448cf5",
   "metadata": {},
   "source": [
    "Building an OpenFE Hybrid Topology Factory"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 23,
   "id": "380e90d9",
   "metadata": {},
   "outputs": [],
   "source": [
    "from rdkit import Chem\n",
    "from openff.units import unit\n",
    "from openfe import setup\n",
    "from openfe.setup import SmallMoleculeComponent\n",
    "from openfe.setup.atom_mapping import LigandAtomMapping\n",
    "from openfe.protocols.openmm_rbfe import RelativeLigandTransform\n",
    "\n",
    "lig_mods = {}\n",
    "\n",
    "supp = Chem.SDMolSupplier('../p38_2c_2g_ligands.sdf', removeHs=False)\n",
    "for rdmol in supp:\n",
    "    lig_mods[rdmol.GetProp('_Name')] = SmallMoleculeComponent(rdmol)\n",
    "    \n",
    "old_system = setup.ChemicalSystem({'ligand': lig_mods['lig_p38a_2c'], 'solvent': None})\n",
    "\n",
    "new_system = setup.ChemicalSystem({'ligand': lig_mods['lig_p38a_2g'], 'solvent': None})\n",
    "\n",
    "mapper = setup.PersesAtomMapper(coordinate_tolerance=0.5*openmm.unit.angstrom)\n",
    "mapping = [m for m in mapper.suggest_mappings(lig_mods['lig_p38a_2c'], lig_mods['lig_p38a_2g'])][0]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 24,
   "id": "76e1fc07",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "<IPython.core.display.Image object>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "mapping"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 25,
   "id": "ccb5846d",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "False"
      ]
     },
     "execution_count": 25,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "mapping.componentB_to_componentA == proposal_engine.non_offset_new_to_old_atom_map"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 26,
   "id": "bb29d072",
   "metadata": {},
   "outputs": [
    {
     "ename": "AttributeError",
     "evalue": "'LigandAtomMapping' object has no attribute 'molA_to_molB'",
     "output_type": "error",
     "traceback": [
      "\u001b[0;31m---------------------------------------------------------------------------\u001b[0m",
      "\u001b[0;31mAttributeError\u001b[0m                            Traceback (most recent call last)",
      "Cell \u001b[0;32mIn [26], line 2\u001b[0m\n\u001b[1;32m      1\u001b[0m \u001b[38;5;28;01mfrom\u001b[39;00m \u001b[38;5;21;01mopenfe_benchmarks\u001b[39;00m\u001b[38;5;21;01m.\u001b[39;00m\u001b[38;5;21;01mutils\u001b[39;00m \u001b[38;5;28;01mimport\u001b[39;00m show_edge_3D\n\u001b[0;32m----> 2\u001b[0m \u001b[43mshow_edge_3D\u001b[49m\u001b[43m(\u001b[49m\u001b[43mmapping\u001b[49m\u001b[43m)\u001b[49m\n",
      "File \u001b[0;32m~/github/openfe-benchmarks/openfe_benchmarks/utils.py:207\u001b[0m, in \u001b[0;36mshow_edge_3D\u001b[0;34m(edge, spheres, style, shift)\u001b[0m\n\u001b[1;32m    204\u001b[0m view\u001b[38;5;241m.\u001b[39maddModel(mblock2, \u001b[38;5;124m'\u001b[39m\u001b[38;5;124mmolB\u001b[39m\u001b[38;5;124m'\u001b[39m)\n\u001b[1;32m    206\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m spheres:\n\u001b[0;32m--> 207\u001b[0m     add_spheres(view, molA, molB, \u001b[43medge\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mmolA_to_molB\u001b[49m)\n\u001b[1;32m    209\u001b[0m view\u001b[38;5;241m.\u001b[39msetStyle({style:{}})\n\u001b[1;32m    210\u001b[0m view\u001b[38;5;241m.\u001b[39mzoomTo()\n",
      "\u001b[0;31mAttributeError\u001b[0m: 'LigandAtomMapping' object has no attribute 'molA_to_molB'"
     ]
    }
   ],
   "source": [
    "from openfe_benchmarks.utils import show_edge_3D\n",
    "show_edge_3D(mapping)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 25,
   "id": "536893d9",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "[34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45]"
      ]
     },
     "execution_count": 25,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "[i for i in mapping.componentB_unique]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 26,
   "id": "8107b12c",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "[19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29]"
      ]
     },
     "execution_count": 26,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "[i for i in mapping.componentA_unique]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 27,
   "id": "2949734c",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "[34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45]"
      ]
     },
     "execution_count": 27,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "[i for i in mapping.componentB_unique]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 28,
   "id": "8e06e5af",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "45"
      ]
     },
     "execution_count": 28,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "rdmol = lig_mods['lig_p38a_2c'].to_rdkit()\n",
    "rdmol.GetNumAtoms()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 29,
   "id": "90cd6ca0",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "46"
      ]
     },
     "execution_count": 29,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "rdmol = lig_mods['lig_p38a_2g'].to_rdkit()\n",
    "rdmol.GetNumAtoms()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 30,
   "id": "ed04a909",
   "metadata": {},
   "outputs": [],
   "source": [
    "settings = RelativeLigandTransform.default_settings()\n",
    "settings.topology_settings.forcefield = {'protein': 'amber/ff14SB.xml', 'ligand': 'openff-2.0.0.offxml',\n",
    "                                         'solvent': 'amber/tip3p_standard.xml', 'ions': 'amber/tip3p_HFE_multivalent.xml'}"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 31,
   "id": "7b820de9",
   "metadata": {},
   "outputs": [],
   "source": [
    "rbfe_transform = RelativeLigandTransform(\n",
    "    settings=settings,\n",
    ")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 32,
   "id": "1ab29418",
   "metadata": {},
   "outputs": [],
   "source": [
    "rbfe_dag = rbfe_transform.create(\n",
    "    stateA=old_system, stateB=new_system,\n",
    "    mapping={'ligand': mapping}\n",
    ")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 33,
   "id": "6e3fae9c",
   "metadata": {},
   "outputs": [],
   "source": [
    "unit = list(rbfe_dag.protocol_units)[0]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 34,
   "id": "f23e7b2e",
   "metadata": {},
   "outputs": [],
   "source": [
    "from openmmforcefields.generators import SMIRNOFFTemplateGenerator\n",
    "\n",
    "stateA_openff_ligand = unit._inputs['stateA']['ligand'].to_openff()\n",
    "stateB_openff_ligand = unit._inputs['stateB']['ligand'].to_openff()\n",
    "\n",
    "smirnoff_stateA = SMIRNOFFTemplateGenerator(\n",
    "            forcefield=unit._inputs['settings'].topology_settings.forcefield['ligand'],\n",
    "            molecules=[stateA_openff_ligand],\n",
    ")\n",
    "\n",
    "smirnoff_stateB = SMIRNOFFTemplateGenerator(\n",
    "            forcefield=unit._inputs['settings'].topology_settings.forcefield['ligand'],\n",
    "            molecules=[stateB_openff_ligand],\n",
    ")\n",
    "\n",
    "omm_forcefield_stateA = app.ForceField(\n",
    "            *[ff for (comp, ff) in unit._inputs['settings'].topology_settings.forcefield.items()\n",
    "              if not comp == 'ligand']\n",
    ")\n",
    "\n",
    "omm_forcefield_stateB = app.ForceField(\n",
    "            *[ff for (comp, ff) in unit._inputs['settings'].topology_settings.forcefield.items()\n",
    "              if not comp == 'ligand']\n",
    ")\n",
    "\n",
    "omm_forcefield_stateA.registerTemplateGenerator(\n",
    "                smirnoff_stateA.generator)\n",
    "\n",
    "omm_forcefield_stateB.registerTemplateGenerator(\n",
    "                smirnoff_stateB.generator)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 35,
   "id": "13f142a4",
   "metadata": {},
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "2022-11-11 17:34:47,284:(3.13s):openmmforcefields.generators.template_generators:Requested to generate parameters for residue <Residue 0 (lig_p38a_2c) of chain 0>\n",
      "2022-11-11 17:34:47,293:(0.01s):openmmforcefields.generators.template_generators:Generating a residue template for [H]c1c(c(c(c(c1[H])C2=C(c3c(nc(nc3N(C2=O)C([H])([H])[H])N([H])C4(C(C(OC(C4([H])[H])([H])[H])([H])[H])([H])[H])[H])[H])[H])Cl)[H])[H] using openff-2.0.0.offxml\n"
     ]
    }
   ],
   "source": [
    "stateA_modeller = app.Modeller(\n",
    "                stateA_openff_ligand.to_topology().to_openmm(),\n",
    "                stateA_openff_ligand.conformers[0],\n",
    ")\n",
    "\n",
    "stateA_system = omm_forcefield_stateA.createSystem(\n",
    "    stateA_modeller.topology,\n",
    "    nonbondedMethod=app.NoCutoff,\n",
    "    constraints=app.HBonds,\n",
    "    rigidWater=True,\n",
    "    hydrogenMass=3*openmm.unit.amus\n",
    ")\n",
    "\n",
    "stateA_positions = stateA_modeller.getPositions()\n",
    "stateA_topology = stateA_modeller.getTopology()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 36,
   "id": "0a77f9a5",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "<bound method Topology.chains of <Topology; 1 chains, 1 residues, 45 atoms, 48 bonds>>"
      ]
     },
     "execution_count": 36,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "stateA_topology.chains"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 37,
   "id": "beb3f3c4",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "45"
      ]
     },
     "execution_count": 37,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "len(stateA_openff_ligand.atoms)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 38,
   "id": "3d9ed87c",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "46"
      ]
     },
     "execution_count": 38,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "len(stateB_openff_ligand.atoms)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 39,
   "id": "441759b6",
   "metadata": {},
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "2022-11-11 17:35:46,307:(59.01s):openmmforcefields.generators.template_generators:Requested to generate parameters for residue <Residue 0 (lig_p38a_2g) of chain 0>\n",
      "2022-11-11 17:35:46,322:(0.01s):openmmforcefields.generators.template_generators:Generating a residue template for [H]c1c(c(c(c(c1[H])OC2=C(c3c(nc(nc3N(C2=O)C([H])([H])[H])N([H])C4(C(C(OC(C4([H])[H])([H])[H])([H])[H])([H])[H])[H])[H])[H])F)[H])[H] using openff-2.0.0.offxml\n"
     ]
    }
   ],
   "source": [
    "from openfe.protocols.openmm_rbfe._rbfe_utils.topologyhelpers import combined_topology\n",
    "\n",
    "stateA_ligand_topology = stateA_openff_ligand.to_topology().to_openmm()\n",
    "stateA_ligand_chain_id = stateA_modeller.topology.getNumChains()\n",
    "stateA_ligand_nchains = stateA_ligand_topology.getNumChains()\n",
    "\n",
    "stateA_chain = list(stateA_topology.chains())[stateA_ligand_chain_id - stateA_ligand_nchains:stateA_ligand_chain_id]\n",
    "\n",
    "stateB_topology = combined_topology(stateA_topology, stateB_openff_ligand.to_topology().to_openmm(),\n",
    "                                    exclude_chains=stateA_chain)\n",
    "\n",
    "stateB_system = omm_forcefield_stateB.createSystem(\n",
    "    stateB_topology,\n",
    "    nonbondedMethod=app.NoCutoff,\n",
    "    constraints=app.HBonds,\n",
    "    rigidWater=True,\n",
    "    hydrogenMass=3*openmm.unit.amus,\n",
    ")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 40,
   "id": "b0fa52c6",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "<bound method Topology.chains of <Topology; 1 chains, 1 residues, 46 atoms, 49 bonds>>"
      ]
     },
     "execution_count": 40,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "stateB_topology.chains"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 41,
   "id": "2613e7be",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "{0: 0,\n",
       " 1: 1,\n",
       " 2: 2,\n",
       " 3: 3,\n",
       " 4: 4,\n",
       " 5: 5,\n",
       " 6: 7,\n",
       " 7: 8,\n",
       " 8: 9,\n",
       " 9: 10,\n",
       " 10: 11,\n",
       " 11: 12,\n",
       " 12: 13,\n",
       " 13: 14,\n",
       " 14: 17,\n",
       " 15: 16,\n",
       " 16: 15,\n",
       " 17: 18,\n",
       " 18: 6,\n",
       " 30: 23,\n",
       " 31: 22,\n",
       " 32: 21,\n",
       " 33: 20,\n",
       " 34: 19,\n",
       " 35: 24,\n",
       " 36: 33,\n",
       " 37: 32,\n",
       " 38: 31,\n",
       " 39: 30,\n",
       " 40: 29,\n",
       " 41: 27,\n",
       " 42: 28,\n",
       " 43: 25,\n",
       " 44: 26}"
      ]
     },
     "execution_count": 41,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "mapping.componentA_to_componentB"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 42,
   "id": "0411d3b5",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "{0: 0,\n",
       " 1: 1,\n",
       " 2: 2,\n",
       " 3: 3,\n",
       " 4: 4,\n",
       " 5: 5,\n",
       " 7: 6,\n",
       " 8: 7,\n",
       " 9: 8,\n",
       " 10: 9,\n",
       " 11: 10,\n",
       " 12: 11,\n",
       " 13: 12,\n",
       " 14: 13,\n",
       " 15: 14,\n",
       " 16: 15,\n",
       " 17: 16,\n",
       " 18: 17,\n",
       " 6: 18}"
      ]
     },
     "execution_count": 42,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "{0: 0, 1: 1, 2: 2, 3: 3, 4: 4, 5: 5, 7: 6, 8: 7, 9: 8, 10: 9, 11: 10, 12: 11, 13: 12, 14: 13, 15: 14, 16: 15, 17: 16, 18: 17, 6: 18}"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 43,
   "id": "119b7abe",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "{0: 0,\n",
       " 1: 1,\n",
       " 2: 2,\n",
       " 3: 3,\n",
       " 4: 4,\n",
       " 5: 5,\n",
       " 7: 6,\n",
       " 8: 7,\n",
       " 9: 8,\n",
       " 10: 9,\n",
       " 11: 10,\n",
       " 12: 11,\n",
       " 13: 12,\n",
       " 14: 13,\n",
       " 15: 14,\n",
       " 16: 15,\n",
       " 17: 16,\n",
       " 18: 17,\n",
       " 6: 18,\n",
       " 19: 30,\n",
       " 20: 31,\n",
       " 21: 32,\n",
       " 22: 33,\n",
       " 23: 34,\n",
       " 24: 35,\n",
       " 25: 36,\n",
       " 26: 37,\n",
       " 27: 38,\n",
       " 28: 39,\n",
       " 29: 40,\n",
       " 30: 41,\n",
       " 31: 42,\n",
       " 32: 43,\n",
       " 33: 44}"
      ]
     },
     "execution_count": 43,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "proposal_engine.non_offset_new_to_old_atom_map"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 44,
   "id": "d619a64d",
   "metadata": {},
   "outputs": [],
   "source": [
    "mapping._compA_to_compB = {v: k for k, v in proposal_engine.non_offset_new_to_old_atom_map.items()}"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 45,
   "id": "80f4e3e0",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "'lig_p38a_2c'"
      ]
     },
     "execution_count": 45,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "mapping.componentA.name"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 46,
   "id": "d63b6d41",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "'lig_p38a_2g'"
      ]
     },
     "execution_count": 46,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "mapping.componentB.name"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 47,
   "id": "a3ad245e",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "{0: 0,\n",
       " 1: 1,\n",
       " 2: 2,\n",
       " 3: 3,\n",
       " 4: 4,\n",
       " 5: 5,\n",
       " 6: 7,\n",
       " 7: 8,\n",
       " 8: 9,\n",
       " 9: 10,\n",
       " 10: 11,\n",
       " 11: 12,\n",
       " 12: 13,\n",
       " 13: 14,\n",
       " 14: 15,\n",
       " 15: 16,\n",
       " 16: 17,\n",
       " 17: 18,\n",
       " 18: 6,\n",
       " 30: 19,\n",
       " 31: 20,\n",
       " 32: 21,\n",
       " 33: 22,\n",
       " 34: 23,\n",
       " 35: 24,\n",
       " 36: 25,\n",
       " 37: 26,\n",
       " 38: 27,\n",
       " 39: 28,\n",
       " 40: 29,\n",
       " 41: 30,\n",
       " 42: 31,\n",
       " 43: 32,\n",
       " 44: 33}"
      ]
     },
     "execution_count": 47,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "{v: k for k, v in proposal_engine.non_offset_new_to_old_atom_map.items()}"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 48,
   "id": "6cb80acf",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "True"
      ]
     },
     "execution_count": 48,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "mapping.componentB_to_componentA == proposal_engine.non_offset_new_to_old_atom_map"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 49,
   "id": "814d8477",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "<IPython.core.display.Image object>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "mapping"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 50,
   "id": "d461a5ab",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "{0: 0,\n",
       " 1: 1,\n",
       " 2: 2,\n",
       " 3: 3,\n",
       " 4: 4,\n",
       " 5: 5,\n",
       " 6: 7,\n",
       " 7: 8,\n",
       " 8: 9,\n",
       " 9: 10,\n",
       " 10: 11,\n",
       " 11: 12,\n",
       " 12: 13,\n",
       " 13: 14,\n",
       " 14: 15,\n",
       " 15: 16,\n",
       " 16: 17,\n",
       " 17: 18,\n",
       " 18: 6,\n",
       " 30: 19,\n",
       " 31: 20,\n",
       " 32: 21,\n",
       " 33: 22,\n",
       " 34: 23,\n",
       " 35: 24,\n",
       " 36: 25,\n",
       " 37: 26,\n",
       " 38: 27,\n",
       " 39: 28,\n",
       " 40: 29,\n",
       " 41: 30,\n",
       " 42: 31,\n",
       " 43: 32,\n",
       " 44: 33}"
      ]
     },
     "execution_count": 50,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "mapping.componentA_to_componentB"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 51,
   "id": "203ab633",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "[19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29]\n"
     ]
    }
   ],
   "source": [
    "print([a for a in mapping.componentA_unique])"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 52,
   "id": "c8fe9efb",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "3 12 0.10853584959160001 nm\n",
      "5 13 0.10853584959160001 nm\n",
      "6 14 0.10938994926340001 nm\n",
      "6 15 0.10938994926340001 nm\n",
      "6 16 0.10938994926340001 nm\n",
      "11 17 0.10194818650269999 nm\n",
      "19 25 0.10853584959160001 nm\n",
      "20 26 0.10853584959160001 nm\n",
      "23 28 0.10853584959160001 nm\n",
      "24 29 0.10853584959160001 nm\n",
      "30 36 0.10938994926340001 nm\n",
      "30 37 0.10938994926340001 nm\n",
      "31 38 0.10938994926340001 nm\n",
      "31 39 0.10938994926340001 nm\n",
      "32 40 0.10938994926340001 nm\n",
      "33 41 0.10938994926340001 nm\n",
      "33 42 0.10938994926340001 nm\n",
      "34 43 0.10938994926340001 nm\n",
      "34 44 0.10938994926340001 nm\n",
      "3 13 0.10853584959160001 nm\n",
      "5 14 0.10853584959160001 nm\n",
      "7 15 0.10938994926340001 nm\n",
      "7 16 0.10938994926340001 nm\n",
      "7 17 0.10938994926340001 nm\n",
      "12 18 0.10194818650269999 nm\n",
      "19 25 0.10938994926340001 nm\n",
      "19 26 0.10938994926340001 nm\n",
      "20 27 0.10938994926340001 nm\n",
      "20 28 0.10938994926340001 nm\n",
      "21 29 0.10938994926340001 nm\n",
      "22 30 0.10938994926340001 nm\n",
      "22 31 0.10938994926340001 nm\n",
      "23 32 0.10938994926340001 nm\n",
      "23 33 0.10938994926340001 nm\n",
      "35 41 0.10853584959160001 nm\n",
      "36 42 0.10853584959160001 nm\n",
      "39 44 0.10853584959160001 nm\n",
      "40 45 0.10853584959160001 nm\n",
      "0.10853584959160001 nm 0.10853584959160001 nm\n",
      "0.10853584959160001 nm 0.10853584959160001 nm\n",
      "0.10938994926340001 nm 0.10938994926340001 nm\n",
      "0.10938994926340001 nm 0.10938994926340001 nm\n",
      "0.10938994926340001 nm 0.10938994926340001 nm\n",
      "0.10194818650269999 nm 0.10194818650269999 nm\n",
      "0.10938994926340001 nm 0.10938994926340001 nm\n",
      "0.10938994926340001 nm 0.10938994926340001 nm\n",
      "0.10938994926340001 nm 0.10938994926340001 nm\n",
      "0.10938994926340001 nm 0.10938994926340001 nm\n",
      "0.10938994926340001 nm 0.10938994926340001 nm\n",
      "0.10938994926340001 nm 0.10938994926340001 nm\n",
      "0.10938994926340001 nm 0.10938994926340001 nm\n",
      "0.10938994926340001 nm 0.10938994926340001 nm\n",
      "0.10938994926340001 nm 0.10938994926340001 nm\n"
     ]
    }
   ],
   "source": [
    "from openfe.protocols.openmm_rbfe._rbfe_utils.topologyhelpers import get_system_mappings\n",
    "\n",
    "ligand_mappings = get_system_mappings(\n",
    "    mapping.componentA_to_componentB,\n",
    "    stateA_system, stateA_topology, stateA_openff_ligand.name,\n",
    "    stateB_system, stateB_topology, stateB_openff_ligand.name,\n",
    "    fix_constraints=True,\n",
    ")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 53,
   "id": "aa581c6d",
   "metadata": {},
   "outputs": [],
   "source": [
    "from openfe.protocols.openmm_rbfe._rbfe_utils.topologyhelpers import set_and_check_new_positions\n",
    "\n",
    "stateB_positions = set_and_check_new_positions(\n",
    "    ligand_mappings, stateA_topology, stateB_topology,\n",
    "    old_positions=stateA_positions,\n",
    "    insert_positions=stateB_openff_ligand.conformers[0],\n",
    "    tolerance=5.0,\n",
    ")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 54,
   "id": "d2919718",
   "metadata": {},
   "outputs": [],
   "source": [
    "from openfe.protocols.openmm_rbfe._rbfe_utils.relative import HybridTopologyFactory"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 55,
   "id": "bbddd5c6",
   "metadata": {},
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "2022-11-11 17:46:28,098:(641.78s):openfe.protocols.openmm_rbfe._rbfe_utils.relative:creating hybrid system\n",
      "2022-11-11 17:46:28,113:(0.02s):openfe.protocols.openmm_rbfe._rbfe_utils.relative:setting force field terms\n",
      "2022-11-11 17:46:28,117:(0.00s):openfe.protocols.openmm_rbfe._rbfe_utils.relative:adding forces\n",
      "2022-11-11 17:46:28,493:(0.38s):openfe.protocols.openmm_rbfe._rbfe_utils.relative:DONE\n"
     ]
    }
   ],
   "source": [
    "openfe_HTF = HybridTopologyFactory(\n",
    "    stateA_system, stateA_positions, stateA_topology,\n",
    "    stateB_system, stateB_positions, stateB_topology,\n",
    "    old_to_new_atom_map=ligand_mappings['old_to_new_atom_map'],\n",
    "    old_to_new_core_atom_map=ligand_mappings['old_to_new_core_atom_map'],\n",
    "    use_dispersion_correction=False,\n",
    "    softcore_alpha=0.5,\n",
    "    softcore_LJ_v2=True,\n",
    "    softcore_LJ_v2_alpha=0.85,\n",
    "    softcore_electrostatics=True,\n",
    "    softcore_electrostatics_alpha=0.3,\n",
    "    softcore_sigma_Q=1.0,\n",
    "    interpolate_old_and_new_14s=False,\n",
    "    flatten_torsions=False,\n",
    ")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 56,
   "id": "c0ccde5c",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "True"
      ]
     },
     "execution_count": 56,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "mapping.componentB_to_componentA == proposal_engine.non_offset_new_to_old_atom_map"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 57,
   "id": "c741fc04",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "True"
      ]
     },
     "execution_count": 57,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "ligand_mappings['new_to_old_atom_map'] == proposal_engine.non_offset_new_to_old_atom_map"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 58,
   "id": "2fadefc2",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "True"
      ]
     },
     "execution_count": 58,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "len(ligand_mappings['new_to_old_atom_map']) == len(proposal_engine.non_offset_new_to_old_atom_map)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 59,
   "id": "3ec64156",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "{0: 0,\n",
       " 1: 1,\n",
       " 2: 2,\n",
       " 3: 3,\n",
       " 4: 4,\n",
       " 5: 5,\n",
       " 7: 6,\n",
       " 8: 7,\n",
       " 9: 8,\n",
       " 10: 9,\n",
       " 11: 10,\n",
       " 12: 11,\n",
       " 13: 12,\n",
       " 14: 13,\n",
       " 15: 14,\n",
       " 16: 15,\n",
       " 17: 16,\n",
       " 18: 17,\n",
       " 6: 18,\n",
       " 19: 30,\n",
       " 20: 31,\n",
       " 21: 32,\n",
       " 22: 33,\n",
       " 23: 34,\n",
       " 24: 35,\n",
       " 25: 36,\n",
       " 26: 37,\n",
       " 27: 38,\n",
       " 28: 39,\n",
       " 29: 40,\n",
       " 30: 41,\n",
       " 31: 42,\n",
       " 32: 43,\n",
       " 33: 44}"
      ]
     },
     "execution_count": 59,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "ligand_mappings['new_to_old_atom_map']"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 60,
   "id": "3dc94746",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "{0: 0,\n",
       " 1: 1,\n",
       " 2: 2,\n",
       " 3: 3,\n",
       " 4: 4,\n",
       " 5: 5,\n",
       " 7: 6,\n",
       " 8: 7,\n",
       " 9: 8,\n",
       " 10: 9,\n",
       " 11: 10,\n",
       " 12: 11,\n",
       " 13: 12,\n",
       " 14: 13,\n",
       " 15: 14,\n",
       " 16: 15,\n",
       " 17: 16,\n",
       " 18: 17,\n",
       " 6: 18,\n",
       " 19: 30,\n",
       " 20: 31,\n",
       " 21: 32,\n",
       " 22: 33,\n",
       " 23: 34,\n",
       " 24: 35,\n",
       " 25: 36,\n",
       " 26: 37,\n",
       " 27: 38,\n",
       " 28: 39,\n",
       " 29: 40,\n",
       " 30: 41,\n",
       " 31: 42,\n",
       " 32: 43,\n",
       " 33: 44}"
      ]
     },
     "execution_count": 60,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "proposal_engine.non_offset_new_to_old_atom_map"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 61,
   "id": "3cae5d81",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "True"
      ]
     },
     "execution_count": 61,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "ligand_mappings['new_to_old_atom_map'] == openfe_HTF._new_to_old_map"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 62,
   "id": "b9a43d2f",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "True"
      ]
     },
     "execution_count": 62,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "ligand_mappings['old_to_new_atom_map'] == openfe_HTF._old_to_new_map"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 63,
   "id": "46856c17",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "True"
      ]
     },
     "execution_count": 63,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "openfe_HTF._old_to_new_map == openfe_HTF._core_old_to_new_map"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 64,
   "id": "50b56614",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "True"
      ]
     },
     "execution_count": 64,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "HTF._old_to_hybrid_map == openfe_HTF.old_to_hybrid_atom_map"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 65,
   "id": "cd51e217",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "True"
      ]
     },
     "execution_count": 65,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "HTF._new_to_hybrid_map == openfe_HTF.new_to_hybrid_atom_map"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 66,
   "id": "b9951a96",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "{0: 0,\n",
       " 1: 1,\n",
       " 2: 2,\n",
       " 3: 3,\n",
       " 4: 4,\n",
       " 5: 5,\n",
       " 7: 6,\n",
       " 8: 7,\n",
       " 9: 8,\n",
       " 10: 9,\n",
       " 11: 10,\n",
       " 12: 11,\n",
       " 13: 12,\n",
       " 14: 13,\n",
       " 15: 14,\n",
       " 16: 15,\n",
       " 17: 16,\n",
       " 18: 17,\n",
       " 6: 18,\n",
       " 19: 30,\n",
       " 20: 31,\n",
       " 21: 32,\n",
       " 22: 33,\n",
       " 23: 34,\n",
       " 24: 35,\n",
       " 25: 36,\n",
       " 26: 37,\n",
       " 27: 38,\n",
       " 28: 39,\n",
       " 29: 40,\n",
       " 30: 41,\n",
       " 31: 42,\n",
       " 32: 43,\n",
       " 33: 44,\n",
       " 34: 45,\n",
       " 35: 46,\n",
       " 36: 47,\n",
       " 37: 48,\n",
       " 38: 49,\n",
       " 39: 50,\n",
       " 40: 51,\n",
       " 41: 52,\n",
       " 42: 53,\n",
       " 43: 54,\n",
       " 44: 55,\n",
       " 45: 56}"
      ]
     },
     "execution_count": 66,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "HTF._new_to_hybrid_map"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 67,
   "id": "fc2dfc7c",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "{0: 0,\n",
       " 1: 1,\n",
       " 2: 2,\n",
       " 3: 3,\n",
       " 4: 4,\n",
       " 5: 5,\n",
       " 7: 6,\n",
       " 8: 7,\n",
       " 9: 8,\n",
       " 10: 9,\n",
       " 11: 10,\n",
       " 12: 11,\n",
       " 13: 12,\n",
       " 14: 13,\n",
       " 15: 14,\n",
       " 16: 15,\n",
       " 17: 16,\n",
       " 18: 17,\n",
       " 6: 18,\n",
       " 19: 30,\n",
       " 20: 31,\n",
       " 21: 32,\n",
       " 22: 33,\n",
       " 23: 34,\n",
       " 24: 35,\n",
       " 25: 36,\n",
       " 26: 37,\n",
       " 27: 38,\n",
       " 28: 39,\n",
       " 29: 40,\n",
       " 30: 41,\n",
       " 31: 42,\n",
       " 32: 43,\n",
       " 33: 44,\n",
       " 34: 45,\n",
       " 35: 46,\n",
       " 36: 47,\n",
       " 37: 48,\n",
       " 38: 49,\n",
       " 39: 50,\n",
       " 40: 51,\n",
       " 41: 52,\n",
       " 42: 53,\n",
       " 43: 54,\n",
       " 44: 55,\n",
       " 45: 56}"
      ]
     },
     "execution_count": 67,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "openfe_HTF.new_to_hybrid_atom_map"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 68,
   "id": "14789f19",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "12"
      ]
     },
     "execution_count": 68,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "openfe_HTF._hybrid_to_new_map[11]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 69,
   "id": "61c20e64",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "(   serial  name element  resSeq      resName  chainID segmentID\n",
       " 0    None   C1x       C       1  lig_p38a_2c        0          \n",
       " 1    None   C2x       C       1  lig_p38a_2c        0          \n",
       " 2    None   C3x       C       1  lig_p38a_2c        0          \n",
       " 3    None   C4x       C       1  lig_p38a_2c        0          \n",
       " 4    None   C5x       C       1  lig_p38a_2c        0          \n",
       " 5    None   C6x       C       1  lig_p38a_2c        0          \n",
       " 6    None   C7x       C       1  lig_p38a_2c        0          \n",
       " 7    None   N1x       N       1  lig_p38a_2c        0          \n",
       " 8    None   O1x       O       1  lig_p38a_2c        0          \n",
       " 9    None   N2x       N       1  lig_p38a_2c        0          \n",
       " 10   None   N3x       N       1  lig_p38a_2c        0          \n",
       " 11   None   N4x       N       1  lig_p38a_2c        0          \n",
       " 12   None   H1x       H       1  lig_p38a_2c        0          \n",
       " 13   None   H2x       H       1  lig_p38a_2c        0          \n",
       " 14   None   H3x       H       1  lig_p38a_2c        0          \n",
       " 15   None   H4x       H       1  lig_p38a_2c        0          \n",
       " 16   None   H5x       H       1  lig_p38a_2c        0          \n",
       " 17   None   H6x       H       1  lig_p38a_2c        0          \n",
       " 18   None   C8x       C       1  lig_p38a_2c        0          \n",
       " 19   None   C9x       C       1  lig_p38a_2c        0          \n",
       " 20   None  C10x       C       1  lig_p38a_2c        0          \n",
       " 21   None  C11x       C       1  lig_p38a_2c        0          \n",
       " 22   None  C12x       C       1  lig_p38a_2c        0          \n",
       " 23   None  C13x       C       1  lig_p38a_2c        0          \n",
       " 24   None  C14x       C       1  lig_p38a_2c        0          \n",
       " 25   None   H7x       H       1  lig_p38a_2c        0          \n",
       " 26   None   H8x       H       1  lig_p38a_2c        0          \n",
       " 27   None  Cl1x      Cl       1  lig_p38a_2c        0          \n",
       " 28   None   H9x       H       1  lig_p38a_2c        0          \n",
       " 29   None  H10x       H       1  lig_p38a_2c        0          \n",
       " 30   None  C15x       C       1  lig_p38a_2c        0          \n",
       " 31   None  C16x       C       1  lig_p38a_2c        0          \n",
       " 32   None  C17x       C       1  lig_p38a_2c        0          \n",
       " 33   None  C18x       C       1  lig_p38a_2c        0          \n",
       " 34   None  C19x       C       1  lig_p38a_2c        0          \n",
       " 35   None   O2x       O       1  lig_p38a_2c        0          \n",
       " 36   None  H11x       H       1  lig_p38a_2c        0          \n",
       " 37   None  H12x       H       1  lig_p38a_2c        0          \n",
       " 38   None  H13x       H       1  lig_p38a_2c        0          \n",
       " 39   None  H14x       H       1  lig_p38a_2c        0          \n",
       " 40   None  H15x       H       1  lig_p38a_2c        0          \n",
       " 41   None  H16x       H       1  lig_p38a_2c        0          \n",
       " 42   None  H17x       H       1  lig_p38a_2c        0          \n",
       " 43   None  H18x       H       1  lig_p38a_2c        0          \n",
       " 44   None  H19x       H       1  lig_p38a_2c        0          \n",
       " 45   None   O3x       O       1  lig_p38a_2c        0          \n",
       " 46   None  C14x       C       1  lig_p38a_2c        0          \n",
       " 47   None  C15x       C       1  lig_p38a_2c        0          \n",
       " 48   None  C16x       C       1  lig_p38a_2c        0          \n",
       " 49   None  C17x       C       1  lig_p38a_2c        0          \n",
       " 50   None  C18x       C       1  lig_p38a_2c        0          \n",
       " 51   None  C19x       C       1  lig_p38a_2c        0          \n",
       " 52   None  H16x       H       1  lig_p38a_2c        0          \n",
       " 53   None  H17x       H       1  lig_p38a_2c        0          \n",
       " 54   None   F1x       F       1  lig_p38a_2c        0          \n",
       " 55   None  H18x       H       1  lig_p38a_2c        0          \n",
       " 56   None  H19x       H       1  lig_p38a_2c        0          ,\n",
       " array([[ 0. ,  8. ,  2. ,  2. ],\n",
       "        [ 0. ,  9. ,  1.5,  1. ],\n",
       "        [ 0. , 18. ,  1.5,  1. ],\n",
       "        [ 1. ,  7. ,  1.5,  1. ],\n",
       "        [ 1. , 10. ,  1.5,  2. ],\n",
       "        [ 1. , 11. ,  1. ,  1. ],\n",
       "        [ 2. ,  3. ,  1.5,  1. ],\n",
       "        [ 2. ,  4. ,  1.5,  2. ],\n",
       "        [ 2. ,  5. ,  1.5,  1. ],\n",
       "        [ 3. , 12. ,  1. ,  1. ],\n",
       "        [ 3. , 18. ,  1.5,  2. ],\n",
       "        [ 4. ,  9. ,  1.5,  1. ],\n",
       "        [ 4. , 10. ,  1.5,  1. ],\n",
       "        [ 5. ,  7. ,  1.5,  2. ],\n",
       "        [ 5. , 13. ,  1. ,  1. ],\n",
       "        [ 6. ,  9. ,  1. ,  1. ],\n",
       "        [ 6. , 14. ,  1. ,  1. ],\n",
       "        [ 6. , 15. ,  1. ,  1. ],\n",
       "        [ 6. , 16. ,  1. ,  1. ],\n",
       "        [11. , 17. ,  1. ,  1. ],\n",
       "        [11. , 32. ,  1. ,  1. ],\n",
       "        [18. , 22. ,  1. ,  1. ],\n",
       "        [19. , 20. ,  1.5,  2. ],\n",
       "        [19. , 24. ,  1.5,  1. ],\n",
       "        [19. , 25. ,  1. ,  1. ],\n",
       "        [20. , 21. ,  1.5,  1. ],\n",
       "        [20. , 26. ,  1. ,  1. ],\n",
       "        [21. , 22. ,  1.5,  2. ],\n",
       "        [21. , 27. ,  1. ,  1. ],\n",
       "        [22. , 23. ,  1.5,  1. ],\n",
       "        [23. , 24. ,  1.5,  2. ],\n",
       "        [23. , 28. ,  1. ,  1. ],\n",
       "        [24. , 29. ,  1. ,  1. ],\n",
       "        [30. , 31. ,  1. ,  1. ],\n",
       "        [30. , 35. ,  1. ,  1. ],\n",
       "        [30. , 36. ,  1. ,  1. ],\n",
       "        [30. , 37. ,  1. ,  1. ],\n",
       "        [31. , 32. ,  1. ,  1. ],\n",
       "        [31. , 38. ,  1. ,  1. ],\n",
       "        [31. , 39. ,  1. ,  1. ],\n",
       "        [32. , 33. ,  1. ,  1. ],\n",
       "        [32. , 40. ,  1. ,  1. ],\n",
       "        [33. , 34. ,  1. ,  1. ],\n",
       "        [33. , 41. ,  1. ,  1. ],\n",
       "        [33. , 42. ,  1. ,  1. ],\n",
       "        [34. , 35. ,  1. ,  1. ],\n",
       "        [34. , 43. ,  1. ,  1. ],\n",
       "        [34. , 44. ,  1. ,  1. ],\n",
       "        [ 6. , 34. ,  0. ,  0. ],\n",
       "        [34. , 38. ,  0. ,  0. ],\n",
       "        [35. , 36. ,  0. ,  0. ],\n",
       "        [35. , 40. ,  0. ,  0. ],\n",
       "        [35. , 41. ,  0. ,  0. ],\n",
       "        [36. , 37. ,  0. ,  0. ],\n",
       "        [36. , 42. ,  0. ,  0. ],\n",
       "        [37. , 38. ,  0. ,  0. ],\n",
       "        [37. , 43. ,  0. ,  0. ],\n",
       "        [38. , 39. ,  0. ,  0. ],\n",
       "        [39. , 40. ,  0. ,  0. ],\n",
       "        [39. , 44. ,  0. ,  0. ],\n",
       "        [40. , 45. ,  0. ,  0. ]]))"
      ]
     },
     "execution_count": 69,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "openfe_HTF.hybrid_topology.to_dataframe()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 70,
   "id": "1d4a7690",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "16"
      ]
     },
     "execution_count": 70,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "openfe_HTF._hybrid_to_old_map[16]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 71,
   "id": "7209eab1",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "[34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45]"
      ]
     },
     "execution_count": 71,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "list(set(range(openfe_HTF._new_topology.getNumAtoms()))-set(openfe_HTF._new_to_old_map.keys()))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 72,
   "id": "9a5d2686",
   "metadata": {},
   "outputs": [],
   "source": [
    "for key in HTF._new_to_hybrid_map.keys():\n",
    "    if HTF._new_to_hybrid_map[key] != openfe_HTF._new_to_hybrid_map[key]:\n",
    "        print(key)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 73,
   "id": "f8ee448c",
   "metadata": {},
   "outputs": [],
   "source": [
    "openfe_forces = [force for force in openfe_HTF.hybrid_system.getForces()]"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "747f7512",
   "metadata": {},
   "source": [
    " Experiment looking at the force differeces here\n",
    " \n",
    " **note**: CustomBondForce vs CustomBondForce_exceptions for forces[8] is normal and expected."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 74,
   "id": "0d65e3bc",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "[<openmm.openmm.CustomBondForce; proxy of <Swig Object of type 'OpenMM::CustomBondForce *' at 0x7fc04e998b40> >,\n",
       " <openmm.openmm.HarmonicBondForce; proxy of <Swig Object of type 'OpenMM::HarmonicBondForce *' at 0x7fc04e998690> >,\n",
       " <openmm.openmm.CustomAngleForce; proxy of <Swig Object of type 'OpenMM::CustomAngleForce *' at 0x7fc0531e0bd0> >,\n",
       " <openmm.openmm.HarmonicAngleForce; proxy of <Swig Object of type 'OpenMM::HarmonicAngleForce *' at 0x7fc0531e0f30> >,\n",
       " <openmm.openmm.CustomTorsionForce; proxy of <Swig Object of type 'OpenMM::CustomTorsionForce *' at 0x7fc0531e0ae0> >,\n",
       " <openmm.openmm.PeriodicTorsionForce; proxy of <Swig Object of type 'OpenMM::PeriodicTorsionForce *' at 0x7fc0531e0d50> >,\n",
       " <openmm.openmm.NonbondedForce; proxy of <Swig Object of type 'OpenMM::NonbondedForce *' at 0x7fc0531e0840> >,\n",
       " <openmm.openmm.CustomNonbondedForce; proxy of <Swig Object of type 'OpenMM::CustomNonbondedForce *' at 0x7fc0531e0f60> >,\n",
       " <openmm.openmm.CustomBondForce; proxy of <Swig Object of type 'OpenMM::CustomBondForce *' at 0x7fc04e92f030> >]"
      ]
     },
     "execution_count": 74,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "perses_forces"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 75,
   "id": "302f6423",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "[<openmm.openmm.CustomBondForce; proxy of <Swig Object of type 'OpenMM::CustomBondForce *' at 0x7fc04af3bb40> >,\n",
       " <openmm.openmm.HarmonicBondForce; proxy of <Swig Object of type 'OpenMM::HarmonicBondForce *' at 0x7fc04a9e5480> >,\n",
       " <openmm.openmm.CustomAngleForce; proxy of <Swig Object of type 'OpenMM::CustomAngleForce *' at 0x7fc04a9e53c0> >,\n",
       " <openmm.openmm.HarmonicAngleForce; proxy of <Swig Object of type 'OpenMM::HarmonicAngleForce *' at 0x7fc04a9e5f00> >,\n",
       " <openmm.openmm.CustomTorsionForce; proxy of <Swig Object of type 'OpenMM::CustomTorsionForce *' at 0x7fc04a9e5f90> >,\n",
       " <openmm.openmm.PeriodicTorsionForce; proxy of <Swig Object of type 'OpenMM::PeriodicTorsionForce *' at 0x7fc04a9e5ab0> >,\n",
       " <openmm.openmm.NonbondedForce; proxy of <Swig Object of type 'OpenMM::NonbondedForce *' at 0x7fc04a9e56c0> >,\n",
       " <openmm.openmm.CustomNonbondedForce; proxy of <Swig Object of type 'OpenMM::CustomNonbondedForce *' at 0x7fc04a9e51b0> >,\n",
       " <openmm.openmm.CustomBondForce; proxy of <Swig Object of type 'OpenMM::CustomBondForce *' at 0x7fc04a9e5390> >]"
      ]
     },
     "execution_count": 75,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "openfe_forces"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 76,
   "id": "79e4d62d",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "[21,\n",
       " 27,\n",
       " Quantity(value=0.17460660370620001, unit=nanometer),\n",
       " Quantity(value=182441.45424436082, unit=kilojoule/(nanometer**2*mole))]"
      ]
     },
     "execution_count": 76,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "perses_forces[1].getBondParameters(5)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 77,
   "id": "5a271ccf",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "[21,\n",
       " 27,\n",
       " Quantity(value=0.17460660370620001, unit=nanometer),\n",
       " Quantity(value=182441.45424436082, unit=kilojoule/(nanometer**2*mole))]"
      ]
     },
     "execution_count": 77,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "openfe_forces[1].getBondParameters(5)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 78,
   "id": "ec8c267f",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "[Quantity(value=0.08144000048438708, unit=elementary charge), Quantity(value=0.2583225710839196, unit=nanometer), Quantity(value=0.0, unit=kilojoule/mole)]\n",
      "[3.31900001 3.76899981 2.56599998] nm\n"
     ]
    }
   ],
   "source": [
    "i = 40\n",
    "print(perses_forces[6].getParticleParameters(i))\n",
    "print(HTF._hybrid_positions[i])"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 79,
   "id": "a6276c2e",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "[Quantity(value=0.08144000048438708, unit=elementary charge), Quantity(value=0.2583225710839196, unit=nanometer), Quantity(value=0.0, unit=kilojoule/mole)]\n",
      "[3.319 3.769 2.566] nm\n"
     ]
    }
   ],
   "source": [
    "i = 40\n",
    "print(openfe_forces[6].getParticleParameters(i))\n",
    "print(openfe_HTF._hybrid_positions[i])"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "56c43b67",
   "metadata": {},
   "source": [
    "Serialize hybrid systems"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 82,
   "id": "3ca74deb",
   "metadata": {},
   "outputs": [],
   "source": [
    "from perses.utils.data import serialize\n",
    "\n",
    "# serialize perses\n",
    "serialize(HTF.hybrid_system, 'perses-hybrid_system.xml')\n",
    "\n",
    "# serialize openfe\n",
    "serialize(openfe_HTF.hybrid_system, 'openfe-hybrid_system.xml')"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "1b485062",
   "metadata": {},
   "source": [
    "Perses lambdas"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "4939dcb6",
   "metadata": {},
   "outputs": [],
   "source": [
    "# after line 627\n",
    "from perses.annihilation.lambda_protocol import LambdaProtocol\n",
    "n_states = 11\n",
    "n_replicas = 11\n",
    "\n",
    "lambda_protocol = LambdaProtocol(functions='default')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "a19c63d2",
   "metadata": {},
   "outputs": [],
   "source": [
    "%matplotlib inline\n",
    "lambda_protocol.plot_functions()"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "7ad00ce2",
   "metadata": {},
   "source": [
    "OpenFE lambdas"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "02100774",
   "metadata": {},
   "outputs": [],
   "source": [
    "from openfe.setup._rbfe_utils import lambdaprotocol\n",
    "\n",
    "lambdas = lambdaprotocol.LambdaProtocol(\n",
    "    functions='default',\n",
    "    windows=11,\n",
    ")\n",
    "\n",
    "len(lambdas.lambda_schedule)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "8de5445c",
   "metadata": {},
   "outputs": [],
   "source": [
    "%matplotlib inline\n",
    "lambdas.plot_functions()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "839799db",
   "metadata": {},
   "outputs": [],
   "source": [
    "lambdas.lambda_schedule"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "451e4db2",
   "metadata": {},
   "source": [
    "Perses - CompoundThermodynamicStates"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "ba33f92f",
   "metadata": {},
   "outputs": [],
   "source": [
    "from perses.annihilation.lambda_protocol import RelativeAlchemicalState\n",
    "from openmmtools.states import (CompoundThermodynamicState, SamplerState,\n",
    "                                ThermodynamicState)\n",
    "import openmm\n",
    "import copy\n",
    "\n",
    "lambda_zero_alchemical_state = RelativeAlchemicalState.from_system(\n",
    "    HTF.hybrid_system)\n",
    "\n",
    "thermostate = ThermodynamicState(HTF.hybrid_system,\n",
    "                                 temperature=298.15 * openmm.unit.kelvins)\n",
    "compound_thermostate = CompoundThermodynamicState(\n",
    "    thermostate,\n",
    "    composable_states=[lambda_zero_alchemical_state]\n",
    ")\n",
    "\n",
    "thermostate_list = []\n",
    "sampler_state_list = []\n",
    "\n",
    "lambda_schedule = np.linspace(0.,1.,n_states)\n",
    "\n",
    "sampler_state = SamplerState(\n",
    "    HTF.hybrid_positions,\n",
    "    box_vectors=HTF.hybrid_system.getDefaultPeriodicBoxVectors()\n",
    ")\n",
    "\n",
    "for lambda_val in lambda_schedule:\n",
    "    compound_thermostate_copy = copy.deepcopy(compound_thermostate)\n",
    "    compound_thermostate_copy.set_alchemical_parameters(\n",
    "        lambda_val, lambda_protocol)\n",
    "    from perses.dispersed import feptasks\n",
    "    feptasks.minimize(compound_thermostate_copy,\n",
    "                      sampler_state, max_iterations=1000000)\n",
    "    print(feptasks.compute_reduced_potential(compound_thermostate_copy,\n",
    "                                             sampler_state))\n",
    "    thermostate_list.append(compound_thermostate_copy)\n",
    "    sampler_state_list.append(copy.deepcopy(sampler_state))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "3ec9da8d",
   "metadata": {},
   "outputs": [],
   "source": [
    "sampler_state_list[0].potential_energy"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "3d355dfa",
   "metadata": {},
   "source": [
    "OpenFE compound thermodynamic states"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "6ad0d0cb",
   "metadata": {},
   "outputs": [],
   "source": [
    "from openfe.setup._rbfe_utils.lambdaprotocol import RelativeAlchemicalState\n",
    "from openmmtools.states import (CompoundThermodynamicState, SamplerState,\n",
    "                                ThermodynamicState)\n",
    "import openmm\n",
    "import copy\n",
    "from perses.dispersed import feptasks\n",
    "\n",
    "lambda_zero_state = RelativeAlchemicalState.from_system(\n",
    "    openfe_HTF.hybrid_system)\n",
    "thermostate = ThermodynamicState(openfe_HTF.hybrid_system,\n",
    "                                 temperature=298.15 * openmm.unit.kelvins)\n",
    "compound_thermostate = CompoundThermodynamicState(\n",
    "    thermostate, composable_states=[lambda_zero_state])\n",
    "\n",
    "thermodynamic_state_list = []\n",
    "sampler_state_list = []\n",
    "\n",
    "box = openfe_HTF.hybrid_system.getDefaultPeriodicBoxVectors()\n",
    "sampler_state = SamplerState(openfe_HTF.hybrid_positions,\n",
    "                             box_vectors=box)\n",
    "\n",
    "for lambda_val in lambdas.lambda_schedule:\n",
    "    compound_thermostate_copy = copy.deepcopy(compound_thermostate)\n",
    "    compound_thermostate_copy.set_alchemical_parameters(\n",
    "        lambda_val, lambda_protocol)\n",
    "    feptasks.minimize(compound_thermostate_copy,\n",
    "                      sampler_state, max_iterations=1000000)\n",
    "    print(feptasks.compute_reduced_potential(compound_thermostate_copy,\n",
    "                                             sampler_state))\n",
    "    thermodynamic_state_list.append(compound_thermostate_copy)\n",
    "    sampler_state_list.append(copy.deepcopy(sampler_state))"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "f5896e81",
   "metadata": {},
   "source": [
    "Perses Hybrid Repex Sampler"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "c930ffec",
   "metadata": {},
   "outputs": [],
   "source": [
    "from perses.samplers.multistate import HybridSAMSSampler, HybridRepexSampler\n",
    "from openmmtools import mcmc, cache\n",
    "from perses.app.setup_relative_calculation import get_openmm_platform\n",
    "from openmmtools.multistate import MultiStateReporter\n",
    "\n",
    "reporter = MultiStateReporter('./perses.nc', checkpoint_interval=10)\n",
    "\n",
    "platform = get_openmm_platform(platform_name=None)\n",
    "\n",
    "# Setup context caches for multistate samplers\n",
    "energy_context_cache = cache.ContextCache(\n",
    "    capacity=None, time_to_live=None, platform=platform)\n",
    "sampler_context_cache = cache.ContextCache(\n",
    "    capacity=None, time_to_live=None, platform=platform)\n",
    "\n",
    "integrator = mcmc.LangevinSplittingDynamicsMove(\n",
    "    timestep=4 * openmm.unit.femtoseconds,\n",
    "    collision_rate=1.0 / openmm.unit.picosecond,\n",
    "    n_steps=500,\n",
    "    reassign_velocities=True,\n",
    "    n_restart_attempts=20, constraint_tolerance=1e-06)\n",
    "\n",
    "hss = HybridRepexSampler(\n",
    "    mcmc_moves=integrator, hybrid_factory=HTF, online_analysis_interval=10)\n",
    "\n",
    "hss.setup(n_states=11, temperature=298.15 * openmm.unit.kelvins,\n",
    "          storage_file=reporter, endstates=False)\n",
    "hss.energy_context_cache = energy_context_cache\n",
    "hss.sampler_context_cache = sampler_context_cache"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "504cc512",
   "metadata": {},
   "outputs": [],
   "source": [
    "# minimize perses sampler\n",
    "hss.minimize()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "877c701b",
   "metadata": {},
   "outputs": [],
   "source": [
    "# equillibrate\n",
    "hss.equilibrate(25)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "1c0c652f",
   "metadata": {},
   "outputs": [],
   "source": [
    "# production\n",
    "hss.extend(50)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "a7f18b9d",
   "metadata": {},
   "outputs": [],
   "source": [
    "# results\n",
    "from openmmtools import multistate\n",
    "reporter = multistate.MultiStateReporter('perses.nc')\n",
    "analyzer = multistate.MultiStateSamplerAnalyzer(reporter)\n",
    "\n",
    "dg, err = analyzer.get_free_energy()\n",
    "estimate = (dg[0, -1] * analyzer.kT).in_units_of(openmm.unit.kilocalories_per_mole)\n",
    "err_estimate = (err[0, -1] * analyzer.kT).in_units_of(openmm.unit.kilocalories_per_mole)\n",
    "\n",
    "print(estimate, err_estimate)"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "524d8256",
   "metadata": {},
   "source": [
    "OpenFE Hybrid Repex Sampler"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "de856797",
   "metadata": {},
   "outputs": [],
   "source": [
    "from openfe.setup import _rbfe_utils\n",
    "from openmmtools import multistate\n",
    "import openmmtools\n",
    "\n",
    "reporter = multistate.MultiStateReporter(\n",
    "    './openfe.nc',\n",
    "    checkpoint_interval=10,\n",
    ")\n",
    "\n",
    "platform = _rbfe_utils.compute.get_openmm_platform(None)\n",
    "\n",
    "energy_context_cache = openmmtools.cache.ContextCache(\n",
    "            capacity=None, time_to_live=None, platform=platform,\n",
    ")\n",
    "\n",
    "sampler_context_cache = openmmtools.cache.ContextCache(\n",
    "            capacity=None, time_to_live=None, platform=platform,\n",
    ")\n",
    "\n",
    "integrator = mcmc.LangevinSplittingDynamicsMove(\n",
    "    timestep=4 * openmm.unit.femtoseconds,\n",
    "    collision_rate=1.0 / openmm.unit.picosecond,\n",
    "    n_steps=500,\n",
    "    reassign_velocities=True,\n",
    "    n_restart_attempts=20, constraint_tolerance=1e-06,\n",
    "    splitting=\"V R O R V\",\n",
    ")\n",
    "\n",
    "sampler = _rbfe_utils.multistate.HybridRepexSampler(\n",
    "    mcmc_moves=integrator,\n",
    "    hybrid_factory=openfe_HTF,\n",
    "    online_analysis_interval=None,\n",
    "    online_analysis_target_error=0.2,\n",
    "    online_analysis_minimum_iterations=50,\n",
    ")\n",
    "\n",
    "sampler.setup(\n",
    "    reporter=reporter,\n",
    "    platform=platform,\n",
    "    lambda_protocol=lambdas,\n",
    "    temperature=298.15 * openmm.unit.kelvins,\n",
    "    endstates=False,\n",
    ")\n",
    "\n",
    "sampler.energy_context_cache = energy_context_cache\n",
    "sampler.sampler_context_cache = sampler_context_cache"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "fda2a5d5",
   "metadata": {},
   "outputs": [],
   "source": [
    "# openfe minimize\n",
    "sampler.minimize()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "82156e55",
   "metadata": {},
   "outputs": [],
   "source": [
    "# openfe equilibrate\n",
    "sampler.equilibrate(25)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "ced8372c",
   "metadata": {},
   "outputs": [],
   "source": [
    "# openfe production\n",
    "sampler.extend(50)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "7bb02abd",
   "metadata": {},
   "outputs": [],
   "source": [
    "# results\n",
    "reporter = multistate.MultiStateReporter('openfe.nc')\n",
    "analyzer = multistate.MultiStateSamplerAnalyzer(reporter)\n",
    "\n",
    "dg, err = analyzer.get_free_energy()\n",
    "estimate = (dg[0, -1] * analyzer.kT).in_units_of(openmm.unit.kilocalories_per_mole)\n",
    "err_estimate = (err[0, -1] * analyzer.kT).in_units_of(openmm.unit.kilocalories_per_mole)\n",
    "\n",
    "print(estimate, err_estimate)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "73a496f4",
   "metadata": {},
   "outputs": [],
   "source": []
  }
 ],
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