man g_dih (Commandes) - g_dih VERSION 3.3_beta_20050823
NAME
g_dih VERSION 3.3_beta_20050823
SYNOPSIS
g_dih -f traj.xtc -s topol.tpr -o hello.out -[no]h -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 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 Generic trajectory: xtc trr trj gro g96 pdb
-s topol.tpr Input Generic run input: tpr tpb tpa xml
-o hello.out Output Generic output file
OTHER OPTIONS
-[no]h no Print 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)
-[no]w no View output xvg, xpm, eps and pdb files
-[no]sa no Perform cluster analysis in dihedral space instead of analysing dihedral transitions.
-mult int -1 mulitiplicity for dihedral angles (by default read from topology)