Evan Pretti

If you want to modify a force field XML file that uses `` for both Lennard-Jones and Coulomb interactions, and doesn't use ``, adding a `` with `` entries alone...

The CHARMM force fields like the one you linked, with both `` and ``, demonstrate what you'd need to do. The XML parser always interprets the files in the same...

Thanks for this information! Sorry for not replying sooner as this must have gotten lost in my inbox. We already convert ff15ipq; we could consider adding these other residues. Do...

OK, in that case, we'll stop distributing ff19ipq. Out of curiosity, do you know who is/was working on developing it? We'd want to know who to reach out to so...

ff19ipq has been removed. Since this issue also contains a suggestion to add SPC/Eb as a supported water model, I'll leave it open for now as a feature request.

I've finally been able to take a look into this. There are two things going on here. First, the reason for half as many impropers coming out of openmmforcefields as...

Currently we don't plan to support this directly since unfortunately CGenFF (the parameterization program) is not freely available to install: see #317. However, if you have access to CGenFF to...

Great, those look like good simple test cases. If I'm understanding correctly, then, this should be easy for us to implement in openmmforcefields. Since `SMIRNOFFTemplateGenerator` relies on having OpenFF generate...