2021-08-19 Meeting notes

LiveCoMS review

@Chapin Cavender

Article outline is here

Contributors who have commented on outline

* indicates explicitly volunteered to contribute text

• RT crystals

  • David Case

  • David Mobley

  • Julian Chen

  • James Fraser

  • Daniel Keedy*

  • Michael Wall

• NMR

  • David Case

  • Lillian Chong

  • Paul Robustelli*

  • Samuli Ollila*

  • Chris Oostenbrink

  • Vincent Voelz*

• Expressed interest but not commented

  • Erik Lindahl

  • Kresten Lindorff-Larsen*

  • Markus Mietinnen
    
    

Next steps

• Addressing comments on outline

  • CC will respond to comments on scope of review

• Deciding/assigning writing duties

  • CC will schedule additional meetings with RT xtal and NMR groups to discuss writing assignments

    • Invite contributors and OpenFF members

    • For NMR section, discuss extent to which we will include data from previous FF training efforts that may be superseded

• Dataset hosting

  • List of systems and computer-readable datasets under version control

  • Additional items to include (maybe updated after article publication)

    • System-specific information (e.g. protonation state of specific sidechains)

    • MD-ready starting coordinates

  • Discuss hosting with contributors