Add 2.2.0 #487
Merged
Add 2.2.0 #487
Conversation
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
lilyminium
commented
Apr 19, 2024
| @@ -7,15 +7,28 @@ class: small-images | |||
|
|
|||
| ##### Force fields released by the Open Force Field Initiative can be accessed in the GitHub [repository](https://github.com/openforcefield/openforcefields). | |||
|
|
|||
| The files available for [download](https://github.com/openforcefield/openforcefields/releases) are in SMIRKS Native Open Force Field (SMIRNOFF) format. Details about this new format are documented in our recent [publication](https://www.doi.org/10.1021/acs.jctc.8b00640) (or [preprint](https://doi.org/10.1101/286542)), and the most recent specification can be found in the [Open Force Field Toolkit documentation](https://open-forcefield-toolkit.readthedocs.io/en/latest/smirnoff.html). You can parameterize small molecules with SMIRNOFF using the ForceField class in the [Open Force Field toolkit](https://github.com/openforcefield/openforcefield) for simulations with [OpenMM](http://openmm.org/). The resulting system can also be converted to several other simulation formats using [ParmEd](http://parmed.github.io/ParmEd/html/index.html). Usage examples can be found in our [GitHub repository](https://github.com/openforcefield/openff-toolkit/tree/master/examples). | |||
| The files available for [download](https://github.com/openforcefield/openforcefields/releases) are in SMIRKS Native Open Force Field (SMIRNOFF) format. Details about this new format are documented in our recent [publication](https://www.doi.org/10.1021/acs.jctc.8b00640) (or [preprint](https://doi.org/10.1101/286542)), and the most recent specification can be found in the [Open Force Field Toolkit documentation](https://open-forcefield-toolkit.readthedocs.io/en/latest/smirnoff.html). You can parameterize small molecules with SMIRNOFF using the ForceField class in the [Open Force Field toolkit](https://github.com/openforcefield/openforcefield) for simulations with [OpenMM](http://openmm.org/). The resulting system can also be converted to several other simulation formats using [ParmEd](http://parmed.github.io/ParmEd/html/index.html). Usage examples can be found in our [GitHub repository](https://github.com/openforcefield/openff-toolkit/tree/main/examples). | |||
There was a problem hiding this comment.
Perhaps this should point to the docs.openforcefield.org/examples link instead?
There was a problem hiding this comment.
Yeah, this whole paragraph is badly outdated. I'm deleting about half of it, updating the rest, and linking to examples.
amcisaac
approved these changes
Apr 19, 2024
j-wags
approved these changes
Apr 19, 2024
There was a problem hiding this comment.
The render looks good to me, and the links all work. Thanks @lilyminium!
| @@ -7,15 +7,28 @@ class: small-images | |||
|
|
|||
| ##### Force fields released by the Open Force Field Initiative can be accessed in the GitHub [repository](https://github.com/openforcefield/openforcefields). | |||
|
|
|||
| The files available for [download](https://github.com/openforcefield/openforcefields/releases) are in SMIRKS Native Open Force Field (SMIRNOFF) format. Details about this new format are documented in our recent [publication](https://www.doi.org/10.1021/acs.jctc.8b00640) (or [preprint](https://doi.org/10.1101/286542)), and the most recent specification can be found in the [Open Force Field Toolkit documentation](https://open-forcefield-toolkit.readthedocs.io/en/latest/smirnoff.html). You can parameterize small molecules with SMIRNOFF using the ForceField class in the [Open Force Field toolkit](https://github.com/openforcefield/openforcefield) for simulations with [OpenMM](http://openmm.org/). The resulting system can also be converted to several other simulation formats using [ParmEd](http://parmed.github.io/ParmEd/html/index.html). Usage examples can be found in our [GitHub repository](https://github.com/openforcefield/openff-toolkit/tree/master/examples). | |||
| The files available for [download](https://github.com/openforcefield/openforcefields/releases) are in SMIRKS Native Open Force Field (SMIRNOFF) format. Details about this new format are documented in our recent [publication](https://www.doi.org/10.1021/acs.jctc.8b00640) (or [preprint](https://doi.org/10.1101/286542)), and the most recent specification can be found in the [Open Force Field Toolkit documentation](https://open-forcefield-toolkit.readthedocs.io/en/latest/smirnoff.html). You can parameterize small molecules with SMIRNOFF using the ForceField class in the [Open Force Field toolkit](https://github.com/openforcefield/openforcefield) for simulations with [OpenMM](http://openmm.org/). The resulting system can also be converted to several other simulation formats using [ParmEd](http://parmed.github.io/ParmEd/html/index.html). Usage examples can be found in our [GitHub repository](https://github.com/openforcefield/openff-toolkit/tree/main/examples). | |||
There was a problem hiding this comment.
Yeah, this whole paragraph is badly outdated. I'm deleting about half of it, updating the rest, and linking to examples.
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
Update force fields page with 2.2.0 release.