Provided by: gromacs-data_2019.3-2_all
gmx-dump - Make binary files human readable
gmx dump [-s [<.tpr>]] [-f [<.xtc/.trr/...>]] [-e [<.edr>]] [-cp [<.cpt>]] [-p [<.top>]] [-mtx [<.mtx>]] [-om [<.mdp>]] [-[no]nr] [-[no]param] [-[no]sys] [-[no]orgir]
gmx dump reads a run input file (.tpr), a trajectory (.trr/.xtc//tng), an energy file (.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 files: -s [<.tpr>] (topol.tpr) (Optional) Portable xdr run input file -f [<.xtc/.trr/…>] (traj.xtc) (Optional) Trajectory: xtc trr cpt gro g96 pdb 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]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
· Position restraint output from -sys -s is broken
gmx(1) More information about GROMACS is available at <http://www.gromacs.org/>.
2019, GROMACS development team