GROMACS version: 2019.4
GROMACS modification: No
Hey! I am running a 20 replica exchange dynamics, generated the replica_index.xvg file, an I was now trying to demux my trajectories in order to follow individual replicas trajectories. I tried to use the following command:
gmx trjcat -f traj0.xtc traj1.xtc traj2.xtc traj3.xtc traj4.xtc traj5.xtc traj6.xtc traj7.xtc traj8.xtc traj9.xtc traj10.xtc traj11.xtc traj12.xtc traj13.xtc traj14.xtc traj15.xtc traj16.xtc traj17.xtc traj18.xtc traj19.xtc -demux replica_index.xvg
But I receive the following error:
Sorry, write_trxframe can not write unknown
Any ideas of what might be causing this? Is it because I am using xtc instead of trr files?