From: Dhiraj Srivastava (dhirajks_at_gmail.com)
Date: Mon Nov 06 2006 - 01:06:53 CST
Hi all
I am running my simulation in NVE ensemble and after running the
simulation for about 0.5 ns, my protein is at one corner of water box with
some sidechain comming out from water box. i am using periodic boundary
condition and wrapall command is on. what may be the reason and how can i
solve this problem?
thank you.
-- Dhiraj Kumar Srivastava Department of Chemistry University of Missouri-Columbia MO, 65211
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