[gmx-users] Fwd: gmx trjcat

Paul bauer paul.bauer.q at gmail.com
Mon Oct 28 11:24:58 CET 2019


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 <alexanderwien2k at gmail.com>
> Date: Sat, Oct 26, 2019 at 9:38 AM
> Subject: gmx trjcat
> To: <gmx-users at 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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