g_gmxdump_d (1) - Linux Manuals

g_gmxdump_d: makes binary files human readable

NAME

gmxdump - makes binary files human readable

VERSION 4.0.1

SYNOPSIS

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

DESCRIPTION

gmxdump reads a run input file ( .tpa/ .tpr/ .tpb), a trajectory ( .trj/ .trr/ .xtc) or an energy file ( .ene/ .edr) and prints that to standard output in a readable format. This program is essential for checking your run input file in case of problems.

When requesting to dump a topology file the program will dump the processed topology, since not all original information is maintained in tpr 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: edr ene 

-cp state.cpt Input, Opt.
 Checkpoint file 

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

OTHER OPTIONS

-[no]hno
 Print help 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)