bionic (1) gmx-trjcat.1.gz

Provided by: gromacs-data_2018.1-1_all bug

NAME

       gmx-trjcat - Concatenate trajectory files

SYNOPSIS

          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]

DESCRIPTION

       gmx  trjcat  concatenates  several input trajectory files in sorted order.  In case of double time frames
       the one in the later file is used.  By specifying -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.

       If the -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

       Options to specify input files:

       -f [<.xtc/.trr/…> […]] (traj.xtc)
              Trajectory: xtc trr cpt gro g96 pdb tng

       -n [<.ndx>] (index.ndx) (Optional)
              Index file

       -demux [<.xvg>] (remd.xvg) (Optional)
              xvgr/xmgr file

       Options to specify output files:

       -o [<.xtc/.trr/…> […]] (trajout.xtc)
              Trajectory: xtc trr gro g96 pdb tng

       Other options:

       -tu <enum> (ps)
              Unit for time values: fs, ps, ns, us, ms, s

       -xvg <enum> (xmgrace)
              xvg plot formatting: xmgrace, xmgr, none

       -b <time> (-1)
              First time to use (ps)

       -e <time> (-1)
              Last time to use (ps)

       -dt <time> (0)
              Only write frame when t MOD dt = first time (ps)

       -[no]settime (no)
              Change starting time interactively

       -[no]sort (yes)
              Sort trajectory files (not frames)

       -[no]keeplast (no)
              Keep overlapping frames at end of trajectory

       -[no]overwrite (no)
              Overwrite overlapping frames during appending

       -[no]cat (no)
              Do not discard double time frames

SEE ALSO

       gmx(1)

       More information about GROMACS is available at <http://www.gromacs.org/>.

       2018, GROMACS development team