g_saltbr(1)
NAME
g_saltbr - computes salt bridges
SYNOPSIS
g_saltbr -f traj.xtc -s topol.tpr -[no]h -nice int -b time -e time -dt time -t real -[no]sep
DESCRIPTION
g_saltbr plots the difference 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,min-plus.xvg
and plus-plus.xvg, or files for every individual ion-pair if selected
FILES
- -f traj.xtc Input
- Generic trajectory: xtc trr trj gro g96 pdb
- -s topol.tpr Input
- Generic run input: tpr tpb tpa xml
OTHER OPTIONS
- -[no]h no
- Print help 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 no
- Use separate files for each interaction (may be MANY)
SEE ALSO
- More information about the GROMACS suite is available in /usr/share/doc/gromacs or at <http://www.gromacs.org/>.