The remlog command has worked fine for me in the tests that I've
performed for it. It won't yet work for MREMD logs, but since you're
getting reptime etc output I don't think that's your issue. Can you
send me off-list your file so I can try to reproduce the problem?
Thanks.
-Dan
On Mon, Jun 2, 2014 at 6:25 PM, Eugene Yedvabny <eyedvabny.berkeley.edu> wrote:
> Hello Amber community,
>
> I am trying to use the new cpptraj remlog command to extract the roundtrip
> times and % exchange of my T-REMD rounds. While the 'out' and 'reptime'
> parameters work just fine, the 'stats' parameter prints out a file full of
> 0s for all the fields (except CRDIDX). The commands I am using is:
>
> readdata ../mdout/remd1.log name log1
> remlog log1 stats statsout ../analysis/remd1_stats.dat
>
> Is this a known bug in cpptraj or am I somehow misusing the command?
>
> Thank you,
> Eugene Yedvabny
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> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Mon Jun 02 2014 - 20:00:02 PDT
