Simulation of a 1000 water molecules

From: Shenoy, Sukesh (
Date: Thu Aug 03 2006 - 13:19:34 CDT

I want to generate the psf file for simulating a 1000 water molecules. The
problem is that NAMD requires that the psf contain the bonds, angles and
dihedral information for all the 1000 water molecules. It is cumbersome and
time consuming to do this manually. Does anybody know how one can do this
quickly (through a program perhaps)?


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