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The way the md engines are now modularized it should be relatively straightforward to add LAMMPS and AMBER implementations now.
Like for the other implementations we have to check for all available files and parse the output files accordingly and add new switches to the run commands in the jinja templates.
The text was updated successfully, but these errors were encountered:
The way the md engines are now modularized it should be relatively straightforward to add LAMMPS and AMBER implementations now.
Like for the other implementations we have to check for all available files and parse the output files accordingly and add new switches to the run commands in the jinja templates.
The text was updated successfully, but these errors were encountered: