g_dih(1) GROMACS suite, VERSION 4.5.4-dev-20110404-bc5695c g_dih(1)
NAME
g_dih - analyzes dihedral transitions
VERSION 4.5.4-dev-20110404-bc5695c
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 int
DESCRIPTION
g_dih can do two things. The default is to analyze dihedral transitions by merely computing all the dihedral angles defined in your topol-
ogy 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 appropri-
ate bin. The output is then given as a number of dihedral conformations sorted according to occupancy.
FILES
-f traj.xtc Input
Trajectory: 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]hno
Print 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/>.
Mon 4 Apr 2011 g_dih(1)
