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Participants
Discussion topics
Item | Presenter | Notes |
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General updates | | JW – Openff-utilities micromamba incompatibility - Expect a release tomorrow ToolkitAM1BCC tag with AT/RDK backend will likely switch to specify ELF1 and some antechamber settings to improve consistency and quality (see all hands) Thanks for BSwope help, messaging is kinda chaotic with him but his feedback is great.
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Trello | | |
Todos
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| (high) Review+merge Topology loading cookbook PR (high) Add NaglToolkitWrapper to OpenFF Toolkit docs (due Dec 13 check in) Propose 3 workshops for Dec-Feb, including topic and format. (JW needs to report to ad board about this in Dec)(high) CZI full application (due Dec 5) (medium) RNA (openmmforcefields) + small mol/lipid (Sage) example (nucleic acid formulations are a hot topic, could get us funding/users) (details here)
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