VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Tue Feb 26 2008 - 21:42:48 CST

On Tue, Feb 26, 2008 at 9:28 PM, Chen Fei <futuredream.1_at_gmail.com> wrote:
>
>
> Hello, I want to compute the force between two atoms, a guy told me that
> NAMD could do that,

NAMD is an molecular dynamics (MD) program and computing forces between
atoms is the largest part of the work, that an MD program does. any other MD
program does the same. see. http://en.wikipedia.org/wiki/Molecular_dynamics

> but he didn't told me how to do that.

you have to read the user's guide.
unless you tell people, what exactly your system is, what you
want to do and what your system is, you won't get a useful answer.

> Is there anyone who has used NAMD script to compute the force between two
> atoms?

if it is just two atoms, you only need a piece of paper and
(optionally) a calculator.
:)

cheers,
    axel.
> Thank you
>
> 2008-02-27 ________________________________
>
> Chen Fei 

-- 
=======================================================================
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.