1gmxdump(1)                GROMACS suite, VERSION 4.5                gmxdump(1)
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NAME

6       gmxdump - makes binary files human readable
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8       VERSION 4.5
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SYNOPSIS

11       gmxdump -s topol.tpr -f traj.xtc -e ener.edr -cp state.cpt -p topol.top
12       -mtx hessian.mtx -om grompp.mdp -[no]h -[no]version -nice  int  -[no]nr
13       -[no]sys
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DESCRIPTION

16       gmxdump  reads  a  run  input  file ( .tpa/ .tpr/ .tpb), a trajectory (
17       .trj/ .trr/ .xtc), an energy file ( .ene/ .edr), or a checkpoint file (
18       .cpt)  and  prints  that to standard output in a readable format.  This
19       program is essential for checking your run input file in case of  prob‐
20       lems.
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23       The  program  can  also preprocess a topology to help finding problems.
24       Note that currently setting GMXLIB is the only way to customize  direc‐
25       tories used for searching include files.
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FILES

28       -s topol.tpr Input, Opt.
29        Run input file: tpr tpb tpa
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31       -f traj.xtc Input, Opt.
32        Trajectory: xtc trr trj gro g96 pdb cpt
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34       -e ener.edr Input, Opt.
35        Energy file
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37       -cp state.cpt Input, Opt.
38        Checkpoint file
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40       -p topol.top Input, Opt.
41        Topology file
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43       -mtx hessian.mtx Input, Opt.
44        Hessian matrix
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46       -om grompp.mdp Output, Opt.
47        grompp input file with MD parameters
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OTHER OPTIONS

51       -[no]hno
52        Print help info and quit
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54       -[no]versionno
55        Print version info and quit
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57       -nice int 0
58        Set the nicelevel
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60       -[no]nryes
61        Show  index  numbers in output (leaving them out makes comparison eas‐
62       ier, but creates a useless topology)
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64       -[no]sysno
65        List the atoms and bonded interactions for the whole system instead of
66       for each molecule type
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SEE ALSO

70       gromacs(7)
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72       More   information  about  GROMACS  is  available  at  <http://www.gro‐
73       macs.org/>.
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77                                Thu 26 Aug 2010                     gmxdump(1)
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