[gmx-users] trjcat eneconv time continuation

[David Rodríguez]

Hi,

I am dealing with a special case of trajectory concatenation: I have several
equilibration trajectories that their times are always restarted to 0, due
employing different force constants for positional restraints, but using the
output structure of the previous step as input anyway. Using trjcat, it
obviously works when you do:

trjcat -f traj1.xtc traj2.xtc traj3.xtc traj4.xtc traj5.xtc traj6.xtc -o
traj_all.xtc -settime

and you interactively introduce 'c' (continue) for each case (there are no
overlapping frames). I haven't found a way to continue the trajectory times
without using -settime (neither -cat nor -keeplast), with both versions
4.0.7 or 4.5. At the same time, I've tried to introduce the 'c' value in a
non-interactive way (as indicated in
http://www.gromacs.org/Documentation/How-tos/Making_Commands_Non-Interactive)
when using -settime, but it doesn't recognize it.

I was wondering if there is a way to make the above mentioned command-line
to work non-interactively. The same applies for the eneconv tool when
concatenating .edr files.

Thanks in advance,

-- 

David Rodríguez Díaz, PhD Student
Fundación Pública Galega de Medicina Xenómica (SERGAS)
Santiago de Compostela (Spain)
http://webspersoais.usc.es/persoais/david.rodriguez.diaz

 <http://webspersoais.usc.es/persoais/david.rodriguez.diaz>
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