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Force field details #13

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jameseastwood opened this issue Aug 11, 2023 · 0 comments
Open

Force field details #13

jameseastwood opened this issue Aug 11, 2023 · 0 comments
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@richardjgowers @IAlibay

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@jameseastwood
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jameseastwood commented Aug 11, 2023 •
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Type
Setup check
Question
What FF was applied to my model?
Tool
OpenFF + RDKit
Details
For each atom in SMC -> epsilon + sigma + charge assigned, all bonded terms
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@IAlibay IAlibay

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@jameseastwood @richardjgowers @IAlibay