PBC related query

From: hl332_at_drexel.edu
Date: Wed Apr 25 2007 - 09:49:09 CDT

Hi all,
   I am doing an NVE run with PBConditions where i observe my protein drifting towards one side of box and some portion is already out. I am using "wrapall ON" option. Can someone suggest how can i see the part of protein going outsidebox which will reenter from other end? Is it bad if it drifts to one side? Any suggestion will do great.


Harish Vashisth (Ph.D Candidate)
CAT-361,Chemical & Biological Engg.
Drexel University, Philadelphia, PA
office: 215-895-5823

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