debian man page for g_dih

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)