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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Received on Wed Sep 16 2015 - 08:30:15 PDT
