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g_saltbrMain Table of Contents |
VERSION 4.5
Thu 26 Aug 2010
| VERSION 4.5 |
g_saltbr plots the distance between all combination of charged groups
as a function of time. The groups are combined in different ways.
A minimum distance can be given, (eg. the cut-off), then groups
that are never closer than that distance will not be plotted.
Output will be in a number of fixed filenames, min-min.xvg, plus-min.xvg
and plus-plus.xvg, or files for every individual ion-pair if the -sep
option is selected. In this case files are named as sb-ResnameResnr-Atomnr.
There may be many such files.
| option | filename | type | description |
|---|---|---|---|
| -f | traj.xtc | Input | Trajectory: xtc trr trj gro g96 pdb cpt |
| -s | topol.tpr | Input | Run input file: tpr tpb tpa |
| option | type | default | description |
|---|---|---|---|
| -[no]h | gmx_bool | no | Print help info and quit |
| -[no]version | gmx_bool | no | Print version info and quit |
| -nice | int | 19 | Set the nicelevel |
| -b | time | 0 | First frame (ps) to read from trajectory |
| -e | time | 0 | Last frame (ps) to read from trajectory |
| -dt | time | 0 | Only use frame when t MOD dt = first time (ps) |
| -t | real | 1000 | trunc distance |
| -[no]sep | gmx_bool | no | Use separate files for each interaction (may be MANY) |