Re: Average energy in NAMD

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Sun Jun 01 2008 - 16:51:15 CDT

On Sun, 1 Jun 2008, feng jack wrote:

JF> Hi, all,
JF> I am new NAMD guy. I have some questiones about average energy:
JF> There are three energy items in the standard output files: TOTAL, TOTAL2
JF>
JF> and TOTAL3, it seems that all of them are current energy rather than average
JF>
JF> energy. How can I obtain the average energy (e.g, if I want to obtain the
JF> average energy in the last 200000 steps)?

.. by averaging over them?

axel.

JF>
JF> Thank you for your patient.
JF>
JF> Best,
JF> Jack
JF>

-- 
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Axel Kohlmeyer   akohlmey_at_cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
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