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Participants

Goals

Discussion topics

Item

Notes

General updates

  • JW – For Rosemary charges, PIs are leaning toward a strategy of “graph net charges based on AM1, followed by SMARTS-based BCCs”, with “normal library charges” as a backup. Just mentioning it here so we make sure to bring it up in ff-release call.

Individual updates

  • JW

    • Worked with MT to make a bit more progress on topology refactor performance

    • SMIRNOFF EP feedback

    • Some user support

Action items

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Decisions

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