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gmx-dump - Man Page

Make binary files human readable


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]


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 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

See Also


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

Referenced By


Feb 28, 2024 2024.1 GROMACS