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OPLS virtual sites correction #13

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hteran opened this issue Jun 16, 2023 · 0 comments
Open

OPLS virtual sites correction #13

hteran opened this issue Jun 16, 2023 · 0 comments

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@hteran
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hteran commented Jun 16, 2023

Virtual sites generate erroneous definition of the corresponding dihedrals; lines 432-433 and 449-450 need come addition (I have the code but I am null on github) ;-)
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@hteran