2022-06-15 Thompson/Wagner Check-in meeting notes

General updates

• JW – Out friday, cancelling meeting

• JW – Thanks for AMBER FF porting 0.0.3 release

Next major tasks for MT

• JW – Release candidate for toolkit coming after I finish OE protein loading implementation.

• JW – I’m thinking that basically the most useful stuff is 1) anything you can help with toward the toolkit release and 2) development on interchange past the 0.2 release.

  • MT – Agree

  • JW – The code reviews and bugfixing is really helpful, there’s probably not a single big feature that I can assign to you.

  • JW – Best thing for you to work on is probably GROMACS+AMBER export. GROMACS hierarchy export is needed for F@H by September, AMBER export may be slightly lower priority since we don’t have a concrete need right now.

  • JW – Also, I really appreciate your activity on issue trackers - We just reminded ad board that bespokefit is out so there may be additional issue tracker traffic there.

Regression testing review?

PR+Issue resolution

• MT – Resolved an issue with recursion-related bug that I reported earlier. May also resolve JMitchell’s bug from before.

• JW reviewed+approved OFFTK 1320