Hello,
The advantage of text based trajectory files is that they are... text
based, which means that usual tools for treating text files, such as cat
and sed, can be used to treat text-based trajectories.
Concatenating .gro or .pdb files can be accomplished literally
concatenating the files: in
Hi Paul,
I though you mean converting the .gro files to .xtc file using *trjcat *(which
was my initial question), sorry about that.
I see now, I just used *trjconv* to convert gro file them to .xtc files and
then ... .
.gro trjconv> .xtc --trjcat> .xtc(or trr)
Thanks
Alex
On
Hello,
I think I understood your problem (or at least hope so).
The issue is that it is no longer possible to directly concatenate text
based trajectory files, so I showed a possible way to work around the
problem.
You can also go back to a previous version of GROMACS to perform the
On 10/28/19 10:42 AM, Alex wrote:
Hi,
Paul,
I guess you understood the question wrongly. I have some *.gro files and I
want to concatenate them to have a trr (or xtc) trajectory.
I don't think Paul misunderstood at all. The version of trjcat that
you're using does not support an operation
Hi,
Paul,
I guess you understood the question wrongly. I have some *.gro files and I
want to concatenate them to have a trr (or xtc) trajectory.
Justin,
Yes indeed, It would be great if gmx trjcat could concatenate the gro files.
Regards,
Alex
On Mon, Oct 28, 2019 at 9:03 AM Justin Lemkul
On 10/28/19 6:26 AM, Paul bauer wrote:
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
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
Any comment on this, please?
Thanks
-- Forwarded message -
From: Alex
Date: Sat, Oct 26, 2019 at 9:38 AM
Subject: gmx trjcat
To:
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,
