VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Tue Apr 28 2009 - 10:17:26 CDT

On Tue, 2009-04-28 at 17:40 +0300, politr_at_huji.ac.il wrote:
> Dear VMD users and developers,

dear regina,

> Where can I find the original script used by VMD to calculate hydrogen
> bonds?

the hydrogen bonds calculation in VMD is done in the C++ source code.
according to the comments, there are actually two slightly different
schemes, one for the Hbonds representation, and one for measure hbonds.

cheers,
   axel.

> Regina 

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