Man page - gmx-dump(1)
Packages contas this manual
- gmx-wham(1)
- gmx-trjcat(1)
- gmx-confrms(1)
- gmx_d(1)
- gmx-xpm2ps(1)
- gmx-make_edi(1)
- gmx-solvate(1)
- gmx-awh(1)
- gmx-help(1)
- gmx-hydorder(1)
- gmx-velacc(1)
- gmx-order(1)
- gmx-clustsize(1)
- gmx-densorder(1)
- gmx-msd(1)
- gmx-saxs-legacy(1)
- gmx-covar(1)
- gmx-tcaf(1)
- gmx-filter(1)
- gmx-rms(1)
- gmx-bundle(1)
- gmx-vanhove(1)
- gmx-enemat(1)
- gmx-rama(1)
- gmx-spatial(1)
- gmx-nmens(1)
- gmx-mdmat(1)
- gmx-rotmat(1)
- gmx(1)
- gmx-eneconv(1)
- gmx-h2order(1)
- gmx-current(1)
- gmx-genion(1)
- gmx-rmsdist(1)
- gmx-report-methods(1)
- gmx-distance(1)
- gmx-insert-molecules(1)
- demux(1)
- gmx-dielectric(1)
- gmx-sans-legacy(1)
- gmx-sigeps(1)
- gmx-genrestr(1)
- gmx-analyze(1)
- gmx-convert-tpr(1)
- gmx-potential(1)
- gmx-wheel(1)
- gmx-mk_angndx(1)
- gmx-x2top(1)
- gmx-genconf(1)
- gmx-mindist(1)
- gmx-dipoles(1)
- gmx-polystat(1)
- gmx-hbond-legacy(1)
- gmx-gyrate-legacy(1)
- gmx-make_ndx(1)
- gmx-nonbonded-benchmark(1)
- gmx-sham(1)
- gmx-nmr(1)
- xplor2gmx(1)
- gmx-densmap(1)
- gmx-bar(1)
- gmx-trajectory(1)
- gmx-sasa(1)
- gmx-dos(1)
- gmx-principal(1)
- gmx-pme_error(1)
- gmx-hbond(1)
- gmx-dump(1)
- gmx-traj(1)
- gmx-freevolume(1)
- gmx-trjconv(1)
- gmx_mpi(1)
- gmx-density(1)
- gmx-pdb2gmx(1)
- gmx-spol(1)
- gmx-cluster(1)
- gmx-select(1)
- gmx-rmsf(1)
- gmx-angle(1)
- gmx-saltbr(1)
- gmx-scattering(1)
- gmx-energy(1)
- gmx-dyecoupl(1)
- gmx-disre(1)
- gmx-pairdist(1)
- gmx-extract-cluster(1)
- gmx-tune_pme(1)
- gmx-check(1)
- gmx-nmtraj(1)
- gmx-helix(1)
- gmx-trjorder(1)
- gmx-grompp(1)
- gmx-gangle(1)
- gmx-dssp(1)
- gmx-convert-trj(1)
- gmx-sorient(1)
- gmx-chi(1)
- gmx-anaeig(1)
- gmx-lie(1)
- gmx-helixorient(1)
- gmx-mdrun(1)
- gmx-editconf(1)
- gmx-rdf(1)
- gmx_mpi_d(1)
- gmx-rotacf(1)
- gmx-nmeig(1)
- gmx-gyrate(1)
Package: gromacs-data
apt-get install gromacs-data
apt-get install gromacs-data
Manuals in package:
Documentations in package:
Manual
| 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/>.
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2025, GROMACS development team
| May 12, 2025 | 2025.2 |