VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Mon Feb 25 2008 - 10:08:44 CST

On Mon, 25 Feb 2008, ChenFei wrote:

CF> Hello, I want to classify the interactions between two atoms and
CF> compute the forces between them.

classify how?

CF> Can VMD do that? Is there anyone who has some advice?

VMD has no intrinsic modeling capabilities, so you'd have
to write some script code (TCL or Python) to compute those
forces yourself.

cheers,
   axel.

CF> Thank you.
CF> Chen Fei
CF> 

-- 
=======================================================================
Axel Kohlmeyer   akohlmey_at_cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.