NAME
g_saltbr - computes salt bridges
VERSION 4.0.1
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 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 selected
FILES
-f traj.xtc Input
Trajectory: xtc trr trj gro g96 pdb cpt
-s topol.tpr Input
Run input file: tpr tpb tpa
OTHER OPTIONS
-[no]hno
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]sepno
Use separate files for each interaction (may be MANY)
SEE ALSO
gromacs(7)
More information about GROMACS is available at
<http://www.gromacs.org/>.
Thu 16 Oct 2008 g_saltbr(1)