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