gmxdump (1)

gmx dump [-s [<.tpr/.tpb/...>]] [-f [<.xtc/.trr/...>]] [-e [<.edr>]]

         [-cp [<.cpt>]] [-p [<.top>]] [-mtx [<.mtx>]] [-om [<.mdp>]]
         [-nice <int>] [-[no]nr] [-[no]sys]

gmx dump 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.

Options to specify input and output files:

-s [<.tpr/.tpb/...>] (topol.tpr) (Input, Optional)

    Run input file: tpr tpb tpa

-f [<.xtc/.trr/...>] (traj.xtc) (Input, Optional)

    Trajectory: xtc trr cpt trj gro g96 pdb tng

-e [<.edr>] (ener.edr) (Input, Optional)

    Energy file

-cp [<.cpt>] (state.cpt) (Input, Optional)

    Checkpoint file

-p [<.top>] (topol.top) (Input, Optional)

    Topology file

-mtx [<.mtx>] (hessian.mtx) (Input, Optional)

    Hessian matrix

-om [<.mdp>] (grompp.mdp) (Output, Optional)

    grompp input file with MD parameters

Other options:

-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)

-[no]sys (no)

    List the atoms and bonded interactions for the whole system instead of for each molecule type

- Position restraint output from -sys -s is broken

gromacs(7)

More information about GROMACS is available at <http://www.gromacs.org/>.