Hi,
If you are using cpptraj you need to use the 'lessplit' command, which
is separate from 'trajout':
lessplit [out <filename prefix>] [average <avg filename>] <trajout
args> (Amber 15 manual page 576). The LES split command
parm lesparm
trajin run0.crd
lessplit out splittraj average avg.crd
This will produce both split (splittraj.X) and averaged (avg.crd)
trajectories. Hope this helps,
-Dan
On Wed, Sep 16, 2015 at 9:29 AM, Sergey Samsonov
<sergeys.biotec.tu-dresden.de> wrote:
> Dear AMBERs,
>
> I'm trying to split a LES trajectory using the following guide from the
> AML: http://archive.ambermd.org/201308/0248.html
>
> My test input is the following:
> -------------------
> trajin les_trajectory.mdcrd
> trajout md_splitted.mdcrd netcdf split les
> -------------------
>
> However, I don't get a trajectory which I can read in with the topology
> corresponding to a classical trajectory (without LES copies) as it was
> to be expected from this archive answer. Instead I still get the
> trajectory with LES copies, which can be downloaded using the
> corresponding topology. Did the syntax changed for Amber14? Explicitly
> the option 'split' is not mentioned in the manual in the description of
> trajout command of cpptraj for this Amber version.
>
> Thanks and cheers,
>
> Sergey
>
> --
> Sergey A. Samsonov
> Postdoctoral researcher
> Structural Bioinformatics
> Biotechnology Center
> Tatzberg 47-51
> 01307 Dresden, Germany
>
> Tel: (+49) 351 463 400 83
> Fax: (+49) 351 463 402 87
> E-mail: sergey.samsonov.biotec.tu-dresden.de
> Webpage: www.biotec.tu-dresden.de
>
>
> _______________________________________________
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> http://lists.ambermd.org/mailman/listinfo/amber
--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
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 Wed Sep 16 2015 - 09:00:04 PDT
