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SchniedersLab / forcefieldx

Force Field X - Software for Molecular Biophysics
http://ffx.biochem.uiowa.edu/
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Amoeba Plus Energy functions & tests #252

Closed mattsperanza closed 4 months ago

mattsperanza commented 4 months ago

I just realized I never looked at if the torques are correct, although the only modifications to the standard Mpole-Mpole interaction is to subtract Z from the partial charge term (would this change torques?)

mattsperanza commented 4 months ago

Still required for full A-plus interaction -> Charge transfer (short range exp(r) interactions) & charge flux (bond-angle dependent movement of partial charges).