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g_dih
Langue: en
Version: 369905 (fedora - 01/12/10)
Section: 1 (Commandes utilisateur)
NAME
g_dih - analyzes dihedral transitionsVERSION 4.5
SYNOPSIS
g_dih -f traj.xtc -s topol.tpr -o hello.out -[no]h -[no]version -nice int -b time -e time -dt time -[no]w -[no]sa -mult intDESCRIPTION
g_dih can do two things. The default is to analyze dihedral transitions by merely computing all the dihedral angles defined in your topology for the whole trajectory. When a dihedral flips over to another minimum an angle/time plot is made.The opther option is to discretize the dihedral space into a number of bins, and group each conformation in dihedral space in the appropriate bin. The output is then given as a number of dihedral conformations sorted according to occupancy.
FILES
-f traj.xtc InputTrajectory: xtc trr trj gro g96 pdb cpt
-s topol.tpr Input
Run input file: tpr tpb tpa
-o hello.out Output
Generic output file
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)
-[no]wno
View output xvg, xpm, eps and pdb files
-[no]sano
Perform cluster analysis in dihedral space instead of analysing dihedral transitions.
-mult int -1
mulitiplicity for dihedral angles (by default read from topology)
SEE ALSO
gromacs(7)More information about GROMACS is available at <http://www.gromacs.org/>.
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