gmxdump

Langue: en

Autres versions - même langue

Version: 111636 (mandriva - 01/05/08)

Section: 1 (Commandes utilisateur)

Sommaire

NAME

gmxdump VERSION 3.3_beta_20050823

SYNOPSIS

gmxdump -s topol.tpr -f traj.xtc -e ener.edr -[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.

FILES

-s topol.tpr Input, Opt.
 Generic run input: tpr tpb tpa xml 

-f traj.xtc Input, Opt.
 Generic trajectory: xtc trr trj gro g96 pdb 

-e ener.edr Input, Opt.
 Generic energy: edr ene 

OTHER OPTIONS

-[no]h no
 Print help info and quit

-nice int 0
 Set the nicelevel

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