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