From: Jerome Henin (jhenin_at_cmm.chem.upenn.edu)
Date: Sat Oct 14 2006 - 10:07:51 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
That is correct. Now, if no thermostat is specified, NAMD will just integrate
Newtonian equations of motion. Does that answer your question?
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