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In connection with the Mobley Group undergraduate project [off-ffcompare](https://github.com/MobleyLab/off-ffcompare) I've been looking at how SMIRNOFF99Frosst types the molecules in DrugBank. Below I…
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At some point, we'll need to expand `ForceField` to allow us to specify which bonds or angles should be constrained.
One way to do this is to extend the `ffxml` format to allow this to be specified v…
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@peastman @jchodera @swails
**tl:dr**: All protein/nucleic converted, some issues outstanding that could bring in a few more FFs, some FFs never to be converted - all explained below. See ions & sol…