NAME

       gmx-convert-trj - Converts between different trajectory types

SYNOPSIS

          gmx convert-trj [-f [<.xtc/.trr/...>]] [-s [<.tpr/.gro/...>]]
                       [-n [<.ndx>]] [-o [<.xtc/.trr/...>]] [-b <time>]
                       [-e <time>] [-dt <time>] [-tu <enum>]
                       [-fgroup <selection>] [-xvg <enum>] [-[no]rmpbc]
                       [-[no]pbc] [-sf <file>] [-selrpos <enum>]
                       [-select <selection>] [-vel <enum>] [-force <enum>]
                       [-atoms <enum>] [-precision <int>] [-starttime <time>]
                       [-timestep <time>] [-box <vector>]

DESCRIPTION

       gmx  convert-trj  converts  trajectory  files between different formats.  The module supports writing all
       GROMACS supported file formats from the supported input formats.

       Included is also a selection of possible  options  to  modify  individual  trajectory  frames,  including
       options  to  produce slimmer output files. It is also possible to replace the particle information stored
       in the input trajectory with those from a structure file

       The module can also generate subsets of trajectories based on user supplied selections.

OPTIONS

       Options to specify input files:

       -f [<.xtc/.trr/...>] (traj.xtc) (Optional)
              Input trajectory or single configuration: xtc trr cpt gro g96 pdb tng

       -s [<.tpr/.gro/...>] (topol.tpr) (Optional)
              Input structure: tpr gro g96 pdb brk ent

       -n [<.ndx>] (index.ndx) (Optional)
              Extra index groups

       Options to specify output files:

       -o [<.xtc/.trr/...>] (trajout.xtc)
              Output trajectory: xtc trr cpt gro g96 pdb tng

       Other options:

       -b <time> (0)
              First frame (ps) to read from trajectory

       -e <time> (0)
              Last frame (ps) to read from trajectory

       -dt <time> (0)
              Only use frame if t MOD dt == first time (ps)

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

       -fgroup <selection>
              Atoms stored in the trajectory file (if not set, assume first N atoms)

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

       -[no]rmpbc (yes)
              Make molecules whole for each frame

       -[no]pbc (yes)
              Use periodic boundary conditions for distance calculation

       -sf <file>
              Provide selections from files

       -selrpos <enum> (atom)
              Selection  reference  positions:  atom,  res_com,  res_cog,   mol_com,   mol_cog,   whole_res_com,
              whole_res_cog,    whole_mol_com,    whole_mol_cog,   part_res_com,   part_res_cog,   part_mol_com,
              part_mol_cog, dyn_res_com, dyn_res_cog, dyn_mol_com, dyn_mol_cog

       -select <selection>
              Selection of particles to write to the file

       -vel <enum> (preserved-if-present)
              Save velocities from frame if possible: preserved-if-present, always, never

       -force <enum> (preserved-if-present)
              Save forces from frame if possible: preserved-if-present, always, never

       -atoms <enum> (preserved-if-present)
              Decide on providing new atom information from topology or using current  frame  atom  information:
              preserved-if-present, always-from-structure, never, always

       -precision <int> (3)
              Set output precision to custom value

       -starttime <time> (0)
              Change start time for first frame

       -timestep <time> (0)
              Change time between different frames

       -box <vector>
              New diagonal box vector for output frame

SEE ALSO

       gmx(1)

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

COPYRIGHT

       2023, GROMACS development team

2023.3                                            Oct 19, 2023                                GMX-CONVERT-TRJ(1)