regarding simulation

From: prasun kumar (
Date: Tue May 05 2009 - 08:48:00 CDT

respected all

I have just now started simulation using NAMD
for MD I am using *numsteps *parameter in place of *minimize* that i have
used while doing minimization. till minimization its working fine. actually
I want to check the interaction between two proteins for that I need to do
the simulation. Now the problem I am facing is following:

Energy of the system is increasing continuosly and the volume is also
I am attaching my configuration file also.
The problem I am facing is it because of the fact that I m not using NVT
during my simulation or some thing else. I am getting the same result when I
am replacing *numsteps *by *run*.

lookin forward for your positive reply

with regards


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