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g_saltbr
Langue: en
Version: 372471 (fedora - 01/12/10)
Section: 1 (Commandes utilisateur)
NAME
g_saltbr - computes salt bridgesVERSION 4.5
SYNOPSIS
g_saltbr -f traj.xtc -s topol.tpr -[no]h -[no]version -nice int -b time -e time -dt time -t real -[no]sepDESCRIPTION
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.
FILES
-f traj.xtc InputTrajectory: xtc trr trj gro g96 pdb cpt
-s topol.tpr Input
Run input file: tpr tpb tpa
OTHER OPTIONS
-[no]hnoPrint help info and quit
-[no]versionno
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]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/>.
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