Hey,
Thanks for the quick reply! I tried other file formats, like the amber coordinate
file format. This didn't seem to solve the problem.
Thanks,
Jim
----- Original Message -----
From: "Daniel Roe" <daniel.r.roe.gmail.com>
To: "AMBER Mailing List" <amber.ambermd.org>
Sent: Friday, August 9, 2013 5:59:12 PM
Subject: Re: [AMBER] ptraj is not splitting LES trajectory
Hi,
I don't have a lot of experience with LES trajectories, but does it
work if you try to output to a different trajectory format, and/or
omit the append keyword?
To my knowledge the LES trajectory processing capability of ptraj
hasn't been tested in a while, so it's possible some bugs have crept
in there. I will try and test this over the next day or so and let you
know what I find. Thanks for the report.
-Dan
On Fri, Aug 9, 2013 at 6:02 PM, James W. Snyder, Jr.
<jsnyder3.stanford.edu> wrote:
> Hey,
>
> I am trying to use ptraj to split my sander.LES trajectory into multiple trajectories
> based on the number of copies. However, I am only getting a single output file that
> corresponds to either just one copy or an average of all the copies. Here is my
> ptraj input...
>
> trajin gfp_wt_les1.mdcrd 100 10000 100
> center .CA origin mass
> image origin
> trajout output.pdb pdb append les split
>
> Does anyone have a solutions to this problem?
>
> Thanks,
>
> Jim Snyder
>
> _______________________________________________
> AMBER mailing list
> 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) 585-9119 (Fax)
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Received on Fri Aug 09 2013 - 18:30:03 PDT
