Hi,
Paul's answer is fully correct if you are using the (default) appending
upon restart from checkpoint. If you manage the restart or the filenames
yourself, then trjcat -overwrite can be needed because the first trajectory
can have additional frames after the time of the checkpoint (which mdrun
Hello,
I use gmx 2018.1 .I had just done a restart and I then thought that maybe I
could have had that problem and I thought maybe that command could solve
the problem if it had existed. I mean that if in the file there were
overlapping frames they would be overwritten just as if you are doing
Hello,
if you restart a run from the checkpoint file than any recent version of
GROMACS will make sure that there are no overlapping frames and that the
continuation is exact.
What were you trying to do on the command line when you wanted to
continue the run, and what version have you been
Dear GMX comunity,
I would like to know if a run is interrupted abruptly (killed by the user)
and then is restarted with -append option, is there any chance that
overlapping frames are generated within the .xtc file?
If this were to happen, would
gmx trjcat -f trj.xtc -o trj2.xtc -overwrite
