Hello,
this looks like a case of misleading documentation. Can you file an
issue for this please on redmine.gromacs.org?
So that we don't forgot to fix this for the next patch release?
A possible work around for you can be that you first convert your files
to e.g. XTC format, use trjcat to combine them and convert them back to GRO.
Cheers
Paul
On 27/10/2019 19:47, Alex wrote:
Any comment on this, please?
Thanks
---------- Forwarded message ---------
From: Alex <alexanderwie...@gmail.com>
Date: Sat, Oct 26, 2019 at 9:38 AM
Subject: gmx trjcat
To: <gmx-us...@gromacs.org>
Dear all,
I want to concatenate some gro file to have a trr or xtc trajectory file
out of them as gro files are also acceptable as input files, according the
gmx trjcat man page;
Options to specify input files:
-f [<.xtc/.trr/...> [...]] (traj.xtc)
Trajectory: xtc trr cpt *gro* g96 pdb tng
So, I fed the .gro files in as input files likes;
gmx trjcat -f c*.gro -o trajout.trr
However, I get below error that;
Fatal error:
gmx trjcat can only handle binary trajectory formats (trr, xtc, tng)
Any comment is highly appreciated.
Regards,
Alex
--
Paul Bauer, PhD
GROMACS Release Manager
KTH Stockholm, SciLifeLab
0046737308594
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