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gmxdumpMain Table of Contents |
VERSION 4.0_rc1
Mon 22 Sep 2008
| VERSION 4.0_rc1 |
gmxdump reads a run input file (.tpa/.tpr/.tpb), a trajectory (.trj/.trr/.xtc) or an energy file (.ene/.edr) and prints that to standard output in a readable format. This program is essential for checking your run input file in case of problems.
When requesting to dump a topology file the program will dump the processed topology, since not all original information is maintained in tpr files.
| option | filename | type | description |
|---|---|---|---|
| -s | topol.tpr | Input, Opt. | Run input file: tpr tpb tpa |
| -f | traj.xtc | Input, Opt. | Trajectory: xtc trr trj gro g96 pdb cpt |
| -e | ener.edr | Input, Opt. | Energy file: edr ene |
| -cp | state.cpt | Input, Opt. | Checkpoint file |
| -om | grompp.mdp | Output, Opt. | grompp input file with MD parameters |
| option | type | default | description |
|---|---|---|---|
| -[no]h | bool | no | Print help info and quit |
| -nice | int | 0 | Set the nicelevel |
| -[no]nr | bool | yes | Show index numbers in output (leaving them out makes comparison easier, but creates a useless topology) |