VMD-L Mailing List

From: Josh (vermaasj_at_msu.edu)
Date: Mon Oct 23 2023 - 07:51:12 CDT

VMD has a nice tutorial for this.
https://www.ks.uiuc.edu/Training/Tutorials/science/forcefield-tutorial/forcefield-html/node6.html#SECTION00062000000000000000
I particularly liked the table when I was learning this stuff to give me
some ideas of the multiplicity and phase that should be dominant for a
given dihedral based on where they were in the molecule.

-Josh

On 10/22/23 8:21 AM, Joel Subach wrote:
> Hello VMD Community:),
>
> for the above topic is there a table somewhere i.e. CGenFF where I can
> find the specific set of
> periodicity and phase shift values for my specific molecule to be ffTK
> Opt Torsions Tab Refined
> towards updating my dihedral parameters within the refine section?
>
> Thanks if you know:)
> Joel 🚀 

-- 
Josh Vermaas
vermaasj_at_msu.edu
Assistant Professor, Plant Research Laboratory and Biochemistry and Molecular Biology
Michigan State University
vermaaslab.github.io