Subject: Re: CCL:CHARMM Trajectory Analysis

From: Tru Huynh <[email-masked]>
Date: Fri, 21 Sep 2001 11:04:20 +0200

"Xiang(Simon) Wang" wrote:
> 
> Dear CCLers:
> 
> Can someone give me some hints about using COORdinates DYNAmics to
> calculate the atomic average RMSD? Any help is appreciated.
> 
Checkout this fine tutorial:

http://www.ch.embnet.org/MD_tutorial/index.html
section III
Analysis of a MD simulation
section IV
CHARMM exercise 1 ....
http://www.ch.embnet.org/MD_tutorial/pages/CHARMM.Exercise1.html
and the input file:
http://www.ch.embnet.org/MD_tutorial/Exercises/exercise1a/input/md_anal.inp

Regards,

Tru

PS don't forget to post a summary :)
-- 
Dr Tru Huynh          | Bioinformatique Structurale
mailto:[email-masked] | tel/fax +33 1 45 68 87 37/19
Institut Pasteur, 25-28 rue du Docteur Roux, 75724 Paris CEDEX 15 France