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Clear partial charges or allow them only if asked for #205

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IAlibay opened this issue Jun 13, 2023 · 0 comments
Open

Clear partial charges or allow them only if asked for #205

IAlibay opened this issue Jun 13, 2023 · 0 comments

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@IAlibay
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IAlibay commented Jun 13, 2023

By default we want to not directly use the partial charges provided by users, however SystemGenerator will just use the partial charges available on the Molecule. We should implement some kind of check (ideally here on SmallMoleculeComponent) where we have folks specifically say they want to keep partial charges or not.

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