gmx trjcat [-f [<.xtc/.trr/...> [...]]] [-n [<.ndx>]] [-demux [<.xvg>]] [-o [<.xtc/.trr/...> [...]]] [-tu <enum>] [-xvg <enum>] [-b <time>] [-e <time>] [-dt <time>] [-[no]settime] [-[no]sort] [-[no]keeplast] [-[no]overwrite] [-[no]cat]
gmx trjcat concatenates several input trajectory files in sorted order.
In case of double time frames the one in the later file is used.
-settime you will be asked for the start time
of each file. The input files are taken from the command line,
such that a command like
gmx trjcat -f *.trr -o fixed.trr should do
the trick. Using
-cat, you can simply paste several files
together without removal of frames with identical time stamps.
One important option is inferred when the output file is amongst the input files. In that case that particular file will be appended to which implies you do not need to store double the amount of data. Obviously the file to append to has to be the one with lowest starting time since one can only append at the end of a file.
-demux option is given, the N trajectories that are
read, are written in another order as specified in the .xvg file.
The .xvg file should contain something like:
0 0 1 2 3 4 5 2 1 0 2 3 5 4
The first number is the time, and subsequent numbers point to trajectory indices. The frames corresponding to the numbers present at the first line are collected into the output trajectory. If the number of frames in the trajectory does not match that in the .xvg file then the program tries to be smart. Beware.
Options to specify input files:
-f[<.xtc/.trr/…> […]] (traj.xtc)
-n[<.ndx>] (index.ndx) (Optional)
-demux[<.xvg>] (remd.xvg) (Optional)
Options to specify output files:
Unit for time values: fs, ps, ns, us, ms, s
xvg plot formatting: xmgrace, xmgr, none
First time to use (ps)
Last time to use (ps)
Only write frame when t MOD dt = first time (ps)
Change starting time interactively
Sort trajectory files (not frames)
Keep overlapping frames at end of trajectory
Overwrite overlapping frames during appending
Do not discard double time frames