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openforcefield / amber-ff-porting

Scratch space for porting amber FFs into SMIRNOFF format
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Add CYM parameters #41

Closed j-wags closed 10 months ago

j-wags commented 1 year ago

Following https://github.com/openforcefield/openff-toolkit/issues/1727, some users are interested in also having CYM parameters from ff14SB. I don't have time to do this but I'd guess it'd be relatively straightforward, except that we'd need to make sure it doesn't get jumbled up with CYX.

mikemhenry commented 1 year ago

I am going to get this pipeline working locally, then I will setup CI so we can test things using our openeye license. This will be a stopgap until we remove openeye entirely with #43

mikemhenry commented 10 months ago

Resolved with #44