From: Semorale (semorale_at_gmail.com)
Date: Thu May 15 2008 - 10:24:21 CDT


In order to run a NVE ensemble with temperature reassignment with NAMD, I
would like to know if someone can tell me about any NVE configuration files
to get me started.
On the other hand, only by removing the temperature and pressure control,
the ensemble becomes NVE? .. Is not it necessary to add any other
parameters? ... If I delete the temperature control, do likewise is possible
to gradually the temperature reassignment ?

Thank you very much for you the grat help!!


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