Main Table of Contents

Wed 13 Nov 2013


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.


-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 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]h bool no Print help info and quit
-[no]version bool no Print version info and quit
-nice int 0 Set the nicelevel
-[no]nr bool yes Show index numbers in output (leaving them out makes comparison easier, but creates a useless topology)
-[no]sys bool no List the atoms and bonded interactions for the whole system instead of for each molecule type

Known problems