VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Mon Sep 08 2008 - 14:13:46 CDT

On Mon, 8 Sep 2008, snoze pa wrote:

SP> Dear Users,
SP> How can i save the charges in a protein using vmd. I want to save the
SP> charges after creating psf file using vmd.

i am confused. where else do you want to save the charges to?
the .psf file _should_ already contain the charges.
providing info about (partial) charges is one of its uses.

cheers,
    axel.

SP> Thank you in advance.
SP> s
SP> 

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