From: Ajasja Ljubetič (ajasja.ljubetic_at_gmail.com)
Date: Thu Dec 08 2016 - 02:30:28 CST
Ooo, that's great! I'll give it a try ASAP.
Are you thinking of putting it on pypi and conda as well? I can assist if
On 7 December 2016 at 22:19, Radak, Brian K <bradak_at_anl.gov> wrote:
> 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')
> >>> mylog.energy['TOTAL']
> 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: owner-namd-l_at_ks.uiuc.edu [owner-namd-l_at_ks.uiuc.edu] on behalf of
> Ajasja Ljubetič [ajasja.ljubetic_at_gmail.com]
> 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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