Re: Handling torsional potentials other than CHARMM type - regd

From: Jeffrey Potoff (jpotoffx_at_gmail.com)
Date: Fri Oct 12 2012 - 15:34:01 CDT

The easiest thing to do is take whatever weird torsional potential you
have and refit the parameters using the CHARMM style cosine series.

On 10/12/2012 3:46 PM, Ramesh Cheerla wrote:
> Dear NAMD users,
>
> How one can handle torsional potential
> functions which are different from CHARMM type in NAMD ?, are there
> any options like tabulated potentials for torsional parameters ?
>
>
>
> Thank you in advance.
>
>
> Regards,
> Ramesh.
>
>
>

-- 
=================================================================
Jeffrey J. Potoff			jpotoff_at_wayne.edu
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  	                TEL: (313) 577-9357
http://potoff1.eng.wayne.edu
=================================================================

This archive was generated by hypermail 2.1.6 : Mon Dec 31 2012 - 23:22:10 CST