From: Dhiraj Srivastava (dhirajks_at_gmail.com)
Date: Mon Oct 23 2006 - 21:40:37 CDT
I am heating my system (protein solvated in water box) after energy
minimization to 300 K. but after heating, i am getting a deformed water box.
In my configuration file, i am using Periodic Boundary condition and wrapall
on still i am getting deformed box. is this deformation of water box is
related to heating or is there any problem in my configuration file?
-- Dhiraj Kumar Srivastava Department of Chemistry University of Missouri-Columbia MO, 65211
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