.. _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]param`] [:strong:`-[no]sys`] [:strong:`-[no]orgir`] Description ----------- ``gmx dump`` reads a run input file (:ref:`.tpr `), a trajectory (:ref:`.trr `/:ref:`.xtc `/``tng``), an energy file (:ref:`.edr `), a checkpoint file (:ref:`.cpt `) or topology file (:ref:`.top `) and prints that to standard output in a readable format. This program is essential for checking your run input file in case of problems. Options ------- Options to specify input files: ``-s`` <.tpr> (Optional) Run input file to dump ``-f`` <.xtc/.trr/...> (Optional) Trajectory file to dump: :ref:`xtc` :ref:`trr` :ref:`cpt` :ref:`gro` :ref:`g96` :ref:`pdb` :ref:`tng` ``-e`` <.edr> (Optional) Energy file to dump ``-cp`` <.cpt> (Optional) Checkpoint file to dump ``-p`` <.top> (Optional) Topology file to dump ``-mtx`` <.mtx> (Optional) Hessian matrix to dump Options to specify output files: ``-om`` <.mdp> (Optional) grompp input file from run input file Other options: ``-[no]nr`` (yes) Show index numbers in output (leaving them out makes comparison easier, but creates a useless topology) ``-[no]param`` (no) Show parameters for each bonded interaction (for comparing dumps, it is useful to combine this with -nonr) ``-[no]sys`` (no) List the atoms and bonded interactions for the whole system instead of for each molecule type ``-[no]orgir`` (no) Show input parameters from tpr as they were written by the version that produced the file, instead of how the current version reads them Known Issues ------------ * The :ref:`.mdp ` file produced by ``-om`` can not be read by grompp. .. only:: man See also -------- :manpage:`gmx(1)` More information about |Gromacs| is available at .