From: Axel Kohlmeyer (
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.

MG> thank you for the suggestions
MG> -Maria

Axel Kohlmeyer
   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.