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2022-04-05 Vsite strategy-for-0.11.0-toolkit release chat

2022-04-05 Vsite strategy-for-0.11.0-toolkit release chat

Owned by Jeffrey Wagner, created
Last updated: Apr 05, 2022
1 min read

Participants

(meeting cancelled)

Discussion topics

Item

Notes

Item

Notes

 

Ambiguities in current implementation

  • Exclusions

    • SB opened SMIRNOFF EP

Paths forward

  • Reorder parent atoms?

  • What to test against?

  • TrivalentLonePair → GROMACS 4fdn to avoid discontinuity?

  • Effort estimate for the above?

Action items

Decisions