.\" Man page generated from reStructuredText.
.
.TH "GMX-DUMP" "1" "Mar 29, 2021" "2020.6-Debian-2020.6-2" "GROMACS"
.SH NAME
gmx-dump \- Make binary files human readable
.
.nr rst2man-indent-level 0
.
.de1 rstReportMargin
\\$1 \\n[an-margin]
level \\n[rst2man-indent-level]
level margin: \\n[rst2man-indent\\n[rst2man-indent-level]]
-
\\n[rst2man-indent0]
\\n[rst2man-indent1]
\\n[rst2man-indent2]
..
.de1 INDENT
.\" .rstReportMargin pre:
. RS \\$1
. nr rst2man-indent\\n[rst2man-indent-level] \\n[an-margin]
. nr rst2man-indent-level +1
.\" .rstReportMargin post:
..
.de UNINDENT
. RE
.\" indent \\n[an-margin]
.\" old: \\n[rst2man-indent\\n[rst2man-indent-level]]
.nr rst2man-indent-level -1
.\" new: \\n[rst2man-indent\\n[rst2man-indent-level]]
.in \\n[rst2man-indent\\n[rst2man-indent-level]]u
..
.SH SYNOPSIS
.INDENT 0.0
.INDENT 3.5
.sp
.nf
.ft C
gmx dump [\fB\-s\fP \fI<.tpr>\fP] [\fB\-f\fP \fI<.xtc/.trr/...>\fP] [\fB\-e\fP \fI<.edr>\fP] [\fB\-cp\fP \fI<.cpt>\fP]
         [\fB\-p\fP \fI<.top>\fP] [\fB\-mtx\fP \fI<.mtx>\fP] [\fB\-om\fP \fI<.mdp>\fP] [\fB\-[no]nr\fP]
         [\fB\-[no]param\fP] [\fB\-[no]sys\fP] [\fB\-[no]orgir\fP]
.ft P
.fi
.UNINDENT
.UNINDENT
.SH DESCRIPTION
.sp
\fBgmx dump\fP reads a run input file (\&.tpr),
a trajectory (\&.trr/\&.xtc/\fBtng\fP), 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.
.SH OPTIONS
.sp
Options to specify input files:
.INDENT 0.0
.TP
.B \fB\-s\fP <.tpr> (Optional)
Run input file to dump
.TP
.B \fB\-f\fP <.xtc/.trr/...> (Optional)
Trajectory file to dump: xtc trr cpt gro g96 pdb tng
.TP
.B \fB\-e\fP <.edr> (Optional)
Energy file to dump
.TP
.B \fB\-cp\fP <.cpt> (Optional)
Checkpoint file to dump
.TP
.B \fB\-p\fP <.top> (Optional)
Topology file to dump
.TP
.B \fB\-mtx\fP <.mtx> (Optional)
Hessian matrix to dump
.UNINDENT
.sp
Options to specify output files:
.INDENT 0.0
.TP
.B \fB\-om\fP <.mdp> (Optional)
grompp input file from run input file
.UNINDENT
.sp
Other options:
.INDENT 0.0
.TP
.B \fB\-[no]nr\fP  (yes)
Show index numbers in output (leaving them out makes comparison easier, but creates a useless topology)
.TP
.B \fB\-[no]param\fP  (no)
Show parameters for each bonded interaction (for comparing dumps, it is useful to combine this with \-nonr)
.TP
.B \fB\-[no]sys\fP  (no)
List the atoms and bonded interactions for the whole system instead of for each molecule type
.TP
.B \fB\-[no]orgir\fP  (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
.UNINDENT
.SH KNOWN ISSUES
.INDENT 0.0
.IP \(bu 2
The \&.mdp file produced by \fB\-om\fP can not be read by grompp.
.UNINDENT
.SH SEE ALSO
.sp
\fBgmx(1)\fP
.sp
More information about GROMACS is available at <\fI\%http://www.gromacs.org/\fP>.
.SH COPYRIGHT
2021, GROMACS development team
.\" Generated by docutils manpage writer.
.