protein is moving from center to one corner of water box.

From: Dhiraj Srivastava (
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

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:44:08 CST