From: Rocchia Walter (walter.rocchia_at_iit.it)
Date: Thu May 27 2010 - 06:52:16 CDT
Hi everybody,
I'd like to monitor the instantaneous kinetic energy of a part of my
system during an MD simulation.
Saving velDCD creates too large files, since I need to record at a
pretty high frequency.
I have kind of understood that it might be possible using the tcl
callback command but no example and no detail on how to use it.
Does anybody have hints?
Thanks
Walter
*********************************************************************
Walter Rocchia, PhD
Team Leader - Computational Chemistry
Drug Discovery and Development
ISTITUTO ITALIANO DI TECNOLOGIA
Via Morego 30, 16163 - Genova, Italy
Phone: +39 010 71781552 Room: 1/31
Fax: +39 010 7170187
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