MT – Could I get an update on upcoming FF releases?
LW – PB realized that 2.1.0 and later have problems with linear angles not being linear. So 2.2.1 is a patch release on 2.2.0 where those are set to linear, and some other minor refits.
LW – There was also a recent false scare where I thought 2.1.0 had totally screwed up condensed phase props, but that turned out to be incorrect.
LW – BW is working on a 2.3 that expands torions, and does a nonbonded refit.
MT – Any news on 3.0/protein FF/bigger picture stuff?
LW – No significant news on 3.0/proteins. Nagl improvements coming with lookup table for small mols.
JW – SFEs are a top priority item with OpenFE, but we know that they’re kinda stalled until they finish hiring.
LW – Yes, at least a month.
MT – Yes, this would be great, but it’s not weighing on my mind.