g_saltbr (1) - Linux Manuals

g_saltbr: computes salt bridges

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)