Skip to content

MMFF94: environment-dependent q⁰ for the O2CM terminal oxygen (type 107) — fixes spurious net charge on sulfones and related groups - #186

Open
exergonic wants to merge 1 commit into
TinkerTools:mainfrom
exergonic:mmff94-o2cm-charge
Open

exergonic wants to merge 1 commit into
TinkerTools:mainfrom
exergonic:mmff94-o2cm-charge

MMFF94: environment-dependent q0 for the O2CM terminal oxygen (type 107)

223f142
Select commit
Loading
Failed to load commit list.

Workflow runs completed with no jobs