VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Wed Sep 05 2007 - 14:05:45 CDT

On Wed, 5 Sep 2007 brmorgan_at_clarku.edu wrote:

dear brittany,

check out the solvate docs at:
http://www.ks.uiuc.edu/Research/vmd/plugins/solvate/

BM> Dear VMD users,
BM> Does anyone know how the coordinates of the water molecules are generated
BM> in the solvate package? Specifically, are they from a previously
BM> equilibrated water system at some density or just randomly initialized
BM> each time?

pre-equilibrated.

cheers,
   axel.

BM>
BM> Brittany Morgan
BM> 

-- 
=======================================================================
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
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If you make something idiot-proof, the universe creates a better idiot.