[gmx-users] Redirecting trajectories from one gmx module to another

Machtens, Jan-Philipp j.machtens at fz-juelich.de
Mon Oct 13 10:32:14 CEST 2014


Hi,
I would like to redirect gromacs trajectories from one gmx module to another, e.g. using a shell pipe...
For example, analyzing a trajectory which is split into two files could be done
using
gmx trjcat -f traj.part1.xtc traj.part2.xtc -o traj.cat.xtc && gmx whatever -f traj.cat.xtc -o result
I would like to save the time needed by the trjcat run and the additional disk space for the concatenated trajectory by using something like
gmx trjcat -f traj.part1.xtc traj.part2.xtc | gmx whatever -f - -o result

This doesn't work that easy. Does anyone know an existing solution ?
Thanks!
Jan-Philipp


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