VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Thu May 03 2007 - 17:00:48 CDT

On Thu, 3 May 2007, lanhua wrote:

> Hi,

> Could you please tell me how to calculate the hydrogen bond energy
> for each hydrogen bond in VMD?

lan,

please note that VMD itself has no knowledge at
all about the interaction energies between atoms.

for the rest please check the mailing list archives,
e.g. the discussion starting at:
http://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/8482.html

axel.

> Thanks!
>
>
> Bests,
> Lan
> 

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