[gmx-users] trjcat with settime option using command line
Rebeca García Fandiño
regafan at hotmail.com
Wed Apr 15 16:33:46 CEST 2015
Dear GROMACS users,
I am trying to concatenate several trajectories
with identical times using the command trjcat with the options -cat and
-settime. I have to introduce manually the option "c" each time a new
trajectory is read. I would like to introduce this line into a script,
in such way I could do it automatically. I have tried:
echo c c c | trjcat -s minimizado.tpr -f trajectory1.xtc trajectory2.xtc trajectory3.xtc -cat -settime
and also
trjcat
-s minimizado.tpr -f trajectory1.xtc trajectory2.xtc trajectory3.xtc
-cat -settime < input_file (where input_file contains the line "c c
c")
But in both cases it does not work. I get the error:
Program trjcat, VERSION 5.0.4
Source code file: /root/gromacs-5.0.4/src/gromacs/gmxana/gmx_trjcat.c, line: 220
Fatal error:
Error reading user input
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
Is there any way to give this information to trjcat through a command line?
Thanks a lot for your help
Rebeca.
Dr. Rebeca Garcia
Santiago de Compostela University
Spain
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