Skip to content

Partial charge assignation using NAGL in example notebook#243

Open
ijpulidos wants to merge 1 commit into
OpenFreeEnergy:mainfrom
ijpulidos:fix-minor-partial-charge
Open

Partial charge assignation using NAGL in example notebook#243
ijpulidos wants to merge 1 commit into
OpenFreeEnergy:mainfrom
ijpulidos:fix-minor-partial-charge

Quick fix using NAGL instead of legacy ambertools.

b016b24
Select commit
Loading
Failed to load commit list.
Sign in for the full log view

Annotations

1 error

The logs for this run have expired and are no longer available.