Re: Average energy in NAMD

From: Axel Kohlmeyer (
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> and TOTAL3, it seems that all of them are current energy rather than average
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?


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

Axel Kohlmeyer
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
If you make something idiot-proof, the universe creates a better idiot.

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 05:21:05 CST