2022-02-09 All-hands meeting notes

General updates

• JW –

  • Somewhat-more-formal project planning is underway. We’re hoping to roll this out for most big projects, starting with ones that are just beginning, and maybe eventually extending to “retrofit” current efforts. For examples see

    • https://openforcefield.atlassian.net/wiki/spaces/IN/pages/2225111061/Project+Plan+Adoption+of+Interchange+backend+as+export+machinery+for+ForceField.create+openmm+system

    • https://openforcefield.atlassian.net/wiki/spaces/PS/pages/1447231531/Protein-Ligand+Benchmarks+Automation+via+Folding+Home

  • Biopolymer release delayed. Will go alpha → RC – (1 month) → stable. I’ll announce when the alpha is ready for use.

• KCJ – Confluence reorganization

Project management overview

(DN will upload slides here)

Mobley questions

1. An update on alternative functional forms/work being done there; @dannycole and crew are you up for doing that soon? (Pick a month: These are, I believe, the third Wednesday of each month at 7:30 am Pacific, so the next would be Feb. 16 or March 16)

2. Plans for virtual sites in connection with protein force fields… I’m not sure who could update on that/whether plans are at all concrete yet. @Simon Boothroyd do you have thoughts? I believe the infrastructure is ready but we’ll probably need to get a protein FF out first and then begin working on testing how virtual sites effect it, so it may be that we could just give something high-level as to what the major stages would be. @Chapin Cavender any thoughts?