g_gmxdump(1) - Linux man page

Name

gmxdump - makes binary files human readable

VERSION 4.5.4-dev-20110404-bc5695c

Synopsis

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

Description

gmxdump reads a run input file ( .tpa/ .tpr/ .tpb), a trajectory ( .trj/ .trr/ .xtc), an energy file ( .ene/ .edr), or a checkpoint file ( .cpt) 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 GMXLIB is the only way to customize directories used for searching include files.

Files

-s topol.tpr Input, Opt. Run input file: tpr tpb tpa

-f traj.xtc Input, Opt. Trajectory: xtc trr trj gro g96 pdb cpt

-e ener.edr Input, Opt. Energy file

-cp state.cpt Input, Opt. Checkpoint file

-p topol.top Input, Opt. Topology file

-mtx hessian.mtx Input, Opt. Hessian matrix

-om grompp.mdp Output, Opt. grompp input file with MD parameters

Other Options

-[no]hno Print help info and quit

-[no]versionno Print version info and quit

-nice int 0 Set the nicelevel

-[no]nryes Show index numbers in output (leaving them out makes comparison easier, but creates a useless topology)