.TH gmx-dump 1 "" "VERSION 5.0.2" "GROMACS Manual" .SH NAME gmx-dump \- Make binary files human readable .SH SYNOPSIS gmx dump [\-s [<.tpr/.tpb/...>]] [\-f [<.xtc/.trr/...>]] [\-e [<.edr>]] [\-cp [<.cpt>]] [\-p [<.top>]] [\-mtx [<.mtx>]] [\-om [<.mdp>]] [\-nice ] [\-[no]nr] [\-[no]sys] .SH DESCRIPTION \fBgmx dump\fR reads a run input file (\fB.tpa\fR/\fB.tpr\fR/\fB.tpb\fR), a trajectory (\fB.trj\fR/\fB.trr\fR/\fB.xtc\fR), an energy file (\fB.ene\fR/\fB.edr\fR), or a checkpoint file (\fB.cpt\fR) and prints that to standard output in a readable format. This program is essential for checking your run input file in case of problems. The program can also preprocess a topology to help finding problems. Note that currently setting \fBGMXLIB\fR is the only way to customize directories used for searching include files. .SH OPTIONS Options to specify input and output files: .BI "\-s" " [<.tpr/.tpb/...>] (topol.tpr) (Input, Optional)" Run input file: tpr tpb tpa .BI "\-f" " [<.xtc/.trr/...>] (traj.xtc) (Input, Optional)" Trajectory: xtc trr cpt trj gro g96 pdb tng .BI "\-e" " [<.edr>] (ener.edr) (Input, Optional)" Energy file .BI "\-cp" " [<.cpt>] (state.cpt) (Input, Optional)" Checkpoint file .BI "\-p" " [<.top>] (topol.top) (Input, Optional)" Topology file .BI "\-mtx" " [<.mtx>] (hessian.mtx) (Input, Optional)" Hessian matrix .BI "\-om" " [<.mdp>] (grompp.mdp) (Output, Optional)" grompp input file with MD parameters Other options: .BI "\-nice" " (0)" Set the nicelevel .BI "\-[no]nr" " (yes)" Show index numbers in output (leaving them out makes comparison easier, but creates a useless topology) .BI "\-[no]sys" " (no)" List the atoms and bonded interactions for the whole system instead of for each molecule type .SH KNOWN ISSUES \- Position restraint output from \-sys \-s is broken .SH SEE ALSO .BR gromacs(7) More information about \fBGROMACS\fR is available at <\fIhttp://www.gromacs.org/\fR>.