From: Ana Celia Araujo Vila Verde (avilaverde_at_engr.psu.edu)
Date: Wed Jun 28 2006 - 10:41:07 CDT
Dear NAMD users,
I am restarting a simulation that was performed in the NVT ensemble. Do I need to use the xsc file in my restart simulation?
I have thought about this and my guess is "no", because the simulation cell does not change its shape in an NVT simulation. However, I'd like to confirm this before I continue. I have read the manual and searched the archives in the NAMD list but I could not find any information about this.
Thank you in advance for everyone's time and attention. Best regards,
Ana Célia Araújo Vila Verde
Penn State University
Department of Chemical Engineering
University Park, PA 16802
Phone: +(1) (814) 863-2879
Fax: +(1) (814) 865-7846
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