Do I need to use an xsc file to restart a simulation in NVT?

From: Ana Celia Araujo Vila Verde (avilaverde_at_engr.psu.edu)
Date: Wed Jun 28 2006 - 14:05:27 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
 
_________________________________
Ana CÚlia Ara˙jo Vila Verde
Penn State University
Department of Chemical Engineering
Fenske Laboratory
University Park, PA 16802
USA
 
 <http://www.gfct.fisica.uminho.pt/Members/acvv>
Phone: +(1) (814) 863-2879
Fax: +(1) (814) 865-7846
avilaverde_at_engr.psu.edu
http://www.che.psu.edu/Faculty/JMaranas/group/avv.html
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_________________________________

 

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