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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 in- stead of for each molecule type -[no]orgir (no) Show input parameters from tpr as they were written by the ver- sion 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 2025, GROMACS development team 2025.0 Feb 10, 2025 GMX-DUMP(1)
NAME | SYNOPSIS | DESCRIPTION | OPTIONS | KNOWN ISSUES | SEE ALSO | COPYRIGHT
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