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g_saltbr_d
Langue: en
Version: 264988 (debian - 07/07/09)
Section: 1 (Commandes utilisateur)
NAME
g_saltbr - computes salt bridgesSYNOPSIS
g_saltbr -f traj.xtc -s topol.tpr -[no]h -nice int -b time -e time -dt time -t real -[no]sepDESCRIPTION
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 InputGeneric trajectory: xtc trr trj gro g96 pdb
-s topol.tpr Input
Generic run input: tpr tpb tpa xml
OTHER OPTIONS
-[no]h noPrint 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
gromacs(7)More information about the GROMACS suite is available in /usr/share/doc/gromacs or at <http://www.gromacs.org/>.
Contenus ©2006-2024 Benjamin Poulain
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