g_dih(1) - Linux man page

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 -niceint -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 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 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.