2024-03-07 Protein FF meeting note

Owned by Chapin Cavender, created
Last updated: Mar 08, 2024
1 min read

Participants

  • @Chapin Cavender

  • @Anika Friedman

  • @Alexandra McIsaac

  • @Lily Wang

  • @Brent Westbrook (Unlicensed)

Goals

  • Update on QM parameter fits

Recording

https://drive.google.com/file/d/1ItSbG31EaA5PksoZxykB0Aub7TDK6Rn9/view?usp=sharing

Discussion topics

Item

Presenter

Notes

Item

Presenter

Notes

QM parameter fits

 

@Chapin Cavender

  • Questions:

    • (Slide 7-8) LW: difference between Sage 2.1 and Sage-CC? was it just charge model?

      • CC: yes

    • (Slide 11) LW: would you consider doing solution state benchmarks with AMBER onlysc?

      • CC: potentially yes

 

 

 

Action items

Decisions