Re: Dihedrals multiplicity!

From: Jeffrey Potoff (
Date: Thu Feb 13 2014 - 11:34:16 CST

On 02/13/2014 12:27 PM, Anna Borlsky wrote:
> Dear Jeffrey,
> Thank you very much for the link, but I did not found in it an answer
> to my question.
> What I see is that when I changed the multiplicity of the dihedrals in
> namd the molecule twisted. But I do not know which are the right
> multiplicities to use and what does they mean in the simulation.
> Best regards,
> Vanessa
Try this one:

Specifically, you should read the section entitled "A Closer Look at
Dihedral Parameters"

Jeffrey J. Potoff               
Associate Professor and Director of Early Engineering Programs
Department of Chemical Engineering and Materials Science
Wayne State University              5050 Anthony Wayne Dr
Detroit, MI 48202

This archive was generated by hypermail 2.1.6 : Thu Dec 31 2015 - 23:20:28 CST