From: Dhiraj Srivastava (dhirajks_at_gmail.com)
Date: Fri Oct 13 2006 - 21:45:37 CDT
Hi all
I was searching for how to run simulation in nve ensemble and found
one post in NAMD mailing list but did not find its reply. so i am again
asking this question if some one could help me.
* If in the configuration file I don't define any control of the pressure
and the temperature, does it mean that it will be the NVE simulation or I
should precise something special?*
Since i am applying periodic boundary condition so the volume and number of
atoms will be constant. only problem will be constant energy. is it correct?
-- Dhiraj Kumar Srivastava Department of Chemistry University of Missouri-Columbia MO, 65211
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