VMD-L Mailing List

From: Joel Subach (mjsubach_at_alumni.ncsu.edu)
Date: Sun Jun 25 2023 - 06:28:49 CDT

Has anyone successfully executed ORCA instead of Gaussian for ffTK
towards the SCAN TORSIONS AND OPT TORSIONS TABS within ffTK?

I have posted issues that I am having towards this without resolve,
accordingly
has any member successfully executed ORCA to generate a proper .log
file to be input back into the ffTK OPT TORSIONS TAB? Thanks:)