VMD-L Mailing List

From: Joel Subach (mjsubach_at_alumni.ncsu.edu)
Date: Fri Oct 27 2023 - 11:18:02 CDT

Hello VMD Community,

towards the above topic, do I still need to work through all the tabs i.e.
Opt Charges
etc. to generate correct final results? I inquire since I only have two
dihedrals to
optimize and have used just the Scan and Torsion Tabs and am generating a
skewed
QM Opt Torsions Visual result?

Thanks if you know:)
Joel 🚀