[AMBER] potential energy from remd

From: Jorgen Simonsen <jorgen589.gmail.com>
Date: Thu, 7 Apr 2011 18:50:47 +0200

Hi

>From the rem.log file from a REMD simulation I would like to get the
potential energy from at the different temperatures so should one use
the new temperature or the old one to make a histogram to evaluate the
potential energy distribution - will ptraj be able to substrate those?

Thanks,

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Received on Thu Apr 07 2011 - 10:00:06 PDT