RE: Returning energy values from .log file.

From: Radak, Brian K (
Date: Wed Dec 07 2016 - 15:19:49 CST

After seeing your original post, I actually just posted my own solution to this on github:

I made a flexible (and fairly robust) parser for NAMD log files in python/numpy. You can do something like the following:

>>> import pynamd
>>> mylog = pynamd.NamdLog('myoutput.log')

I've used this quite a few times to build specialized analysis script. It's definitely been more useful than grep/awk, although that works in about 90% of cases.


Brian Radak
Postdoctoral Appointee
Leadership Computing Facility
Argonne National Laboratory

9700 South Cass Avenue, Bldg. 240
Argonne, IL 60439-4854
(630) 252-8643

From: [] on behalf of Ajasja Ljubeti []
Sent: Wednesday, December 07, 2016 2:41 PM
To: namd-l; matthew reeves
Subject: Re: namd-l: Returning energy values from .log file.


We just answered this 9 days ago

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