gmx-dump - Make binary files human readable
Contents
Copyright
2025, GROMACS development team
2025.0 Feb 10, 2025 GMX-DUMP(1)
Description
gmxdump 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.
Known Issues
• The .mdp file produced by -om can not be read by grompp.
Name
gmx-dump - Make binary files human readable
Options
Options to specify input files:
-s<.tpr>(Optional)
Run input file to dump
-f<.xtc/.trr/...>(Optional)
Trajectory file to dump: xtctrrcptgrog96pdbtng-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
See Also
gmx(1) More information about GROMACS is available at <http://www.gromacs.org/>.
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]
