VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Tue Feb 03 2009 - 10:55:28 CST

On Tue, 3 Feb 2009, maria goranovic wrote:

MG> Is it possible to delete .. say.. 3000 random water molecules from my
MG> simulation box using VMD? Is there such a command ?

psfgen can do that in principle with some scripting.
please have a look at how the solvate plugin works for example.
 
cheers,
   axel.

MG> thank you for the suggestions
MG>
MG> -Maria
MG>
MG> 

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