2024-10-01 SMIRNOFF Committee Meeting
- Matt Thompson
Owned by Matt Thompson, created
Sept 30, 2024
1 min read
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Participants
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Goals
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Discussion topics
Item | Notes |
|---|---|
Document charge assignment hierarchy |
|
Custom 1-4s? | Unclear status, no implementation yet |
Interaction between preset charges and virtual sites |
|
Different charges on isomorphic molecules |
|
LJPME not in spec |
|