This is the command gmx-dump that can be run in the OnWorks free hosting provider using one of our multiple free online workstations such as Ubuntu Online, Fedora Online, Windows online emulator or MAC OS online emulator
PROGRAM:
NAME
gmx-dump - Make binary files human readable
SYNOPSIS
gmx dump [-s [<.tpr>]] [-f [<.xtc/.trr/...>]] [-e [<.edr>]]
[-cp [<.cpt>]] [-p [<.top>]] [-mtx [<.mtx>]] [-om [<.mdp>]]
[-[no]nr] [-[no]sys]
DESCRIPTION
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
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]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
Use gmx-dump online using onworks.net services
