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GMX-DUMP(1) GROMACS GMX-DUMP(1)

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

2021, GROMACS development team
June 19, 2021 2021.2-Debian-2021.2-1