.. _gmx dump: gmx dump ======== Synopsis -------- .. parsed-literal:: gmx dump [:strong:`-s` :emphasis:`[<.tpr>]`] [:strong:`-f` :emphasis:`[<.xtc/.trr/...>]`] [:strong:`-e` :emphasis:`[<.edr>]`] [:strong:`-cp` :emphasis:`[<.cpt>]`] [:strong:`-p` :emphasis:`[<.top>]`] [:strong:`-mtx` :emphasis:`[<.mtx>]`] [:strong:`-om` :emphasis:`[<.mdp>]`] [:strong:`-[no]nr`] [:strong:`-[no]sys`] Description ----------- ``gmx dump`` reads a run input file (:ref:`.tpr `), a trajectory (:ref:`.trr `/:ref:`.xtc `/``/tng``), an energy file (:ref:`.edr `) or a checkpoint file (:ref:`.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 ------- Options to specify input files: ``-s`` [<.tpr>] (topol.tpr) (Optional) Portable xdr run input file ``-f`` [<.xtc/.trr/...>] (traj.xtc) (Optional) Trajectory: :ref:`xtc` :ref:`trr` :ref:`cpt` :ref:`gro` :ref:`g96` :ref:`pdb` :ref:`tng` ``-e`` [<.edr>] (ener.edr) (Optional) Energy file ``-cp`` [<.cpt>] (state.cpt) (Optional) Checkpoint file ``-p`` [<.top>] (topol.top) (Optional) Topology file ``-mtx`` [<.mtx>] (hessian.mtx) (Optional) Hessian matrix Options to specify output files: ``-om`` [<.mdp>] (grompp.mdp) (Optional) grompp input file with MD parameters Other options: ``-[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 Known Issues ------------ * Position restraint output from -sys -s is broken .. only:: man See also -------- :manpage:`gmx(1)` More information about |Gromacs| is available at .