bcossins

cMET only has 5 cmpds now

2

My group are starting to run more RBFE benchmarks some of them with automated setup. Just a quick question. cMET seems only to have 5 cmpds now here https://github.com/openforcefield/protein-ligand-benchmark/blob/main/data/cmet/02_ligands/ligands.sdf While...

What about ff99-disp

6

Only me. **Is your feature request related to a problem? Please describe.** Saw Julien publishing on simulations with a99sb-disp - https://github.com/paulrobustelli/Force-Fields This ff is not currently in BioSimSpace is it?...