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\uD83D\uDDD3 Date

\uD83D\uDC65 Participants

\uD83E\uDD45 Goals

\uD83D\uDDE3 Discussion topics

Time

Item

Presenter

Notes

10 mins

Simon Boothroyd

  • AM1BCC -> AM1BCC-ELF10 charges warrant a refit of LJ types?

5 mins


Trevor Gokey

  • Importance weighting parameters during fitting

15 min?

Virtual sites?

Simon Boothroyd

  • Plan for virtual sites and electrostatics in Rosemary. A tentative plan is here: Electrostatics refitting plan for Rosemary. This is a summary of what I’ve heard, and needs updating from people actually doing the work.

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