NAME

       gmx-dump - Make binary files human readable

SYNOPSIS

          gmx dump [-s <.tpr>] [-f <.xtc/.trr/...>] [-e <.edr>] [-cp <.cpt>]
                   [-p <.top>] [-mtx <.mtx>] [-om <.mdp>] [-[no]nr]
                   [-[no]param] [-[no]sys] [-[no]orgir]

DESCRIPTION

       gmx  dump  reads  a run input file (.tpr), a trajectory (.trr/.xtc/tng), an energy file (‐
       .edr), a checkpoint file (.cpt) or topology file (.top) and prints that to standard output
       in  a readable format.  This program is essential for checking your run input file in case
       of problems.

OPTIONS

       Options to specify input files:

       -s <.tpr> (Optional)
              Run input file to dump

       -f <.xtc/.trr/...> (Optional)
              Trajectory file to dump: xtc trr cpt gro g96 pdb tng

       -e <.edr> (Optional)
              Energy file to dump

       -cp <.cpt> (Optional)
              Checkpoint file to dump

       -p <.top> (Optional)
              Topology file to dump

       -mtx <.mtx> (Optional)
              Hessian matrix to dump

       Options to specify output files:

       -om <.mdp> (Optional)
              grompp input file from run input file

       Other options:

       -[no]nr (yes)
              Show index numbers in output (leaving them out makes comparison easier, but creates
              a useless topology)

       -[no]param (no)
              Show  parameters  for each bonded interaction (for comparing dumps, it is useful to
              combine this with -nonr)

       -[no]sys (no)
              List the atoms and bonded interactions for the whole system  instead  of  for  each
              molecule type

       -[no]orgir (no)
              Show  input  parameters  from tpr as they were written by the version that produced
              the file, instead of how the current version reads them

KNOWN ISSUES

       • The .mdp file produced by -om can not be read by grompp.

SEE ALSO

       gmx(1)

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

COPYRIGHT

       2024, GROMACS development team