VMD-L Mailing List

From: Joel Subach (mjsubach_at_alumni.ncsu.edu)
Date: Tue Feb 20 2024 - 06:09:32 CST

Hello VMD Community in the above instance subsequent to the ffTK first tab
blanks will be drawn for psf, par etc., accordingly working through all
tabs depending will function best:).

On Wed, Oct 18, 2023 at 1:13 PM Joel Subach <mjsubach_at_alumni.ncsu.edu>
wrote:

> Hello VMD Community I hope you're well:).
>
> For the above topic I only need to optimize two-dihedral angles, can I
> therefore
> only select Scan and Opt Torsion tabs and ignore the others i.e. Opt
> Charge etc.?
> (My goal is to simulate a protein-ligand Complex via Gromacs and my ligand
> exhibited
> only two penalized dihedral angles needing optimization before proceeding
> any further.)
>
> Thanks if you know:) Joel 🚀
>