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) or a
       checkpoint file (.cpt) and prints that to  standard  output  in  a  readable  format.   This  program  is
       essential for checking your run input file in case of problems.

       The  program can also preprocess a topology to help finding problems.  Note that currently setting GMXLIB
       is the only way to customize directories used for searching include files.

OPTIONS

       Options to specify input files:

       -s [<.tpr>] (topol.tpr) (Optional)
              Portable xdr run input file

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

       -e [<.edr>] (ener.edr) (Optional)
              Energy file

       -cp [<.cpt>] (state.cpt) (Optional)
              Checkpoint file

       -p [<.top>] (topol.top) (Optional)
              Topology file

       -mtx [<.mtx>] (hessian.mtx) (Optional)
              Hessian matrix

       Options to specify output files:

       -om [<.mdp>] (grompp.mdp) (Optional)
              grompp input file with MD parameters

       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

       • Position restraint output from -sys -s is broken

SEE ALSO

       gmx(1)

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

COPYRIGHT

       2018, GROMACS development team

2018.1                                            Mar 21, 2018                                       GMX-DUMP(1)