g_dih (1) - Linux Man Pages
g_dih: analyzes dihedral transitions
NAMEg_dih - analyzes dihedral transitions
SYNOPSISg_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
DESCRIPTIONg_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
-nice int 19
-b time 0
-e time 0
-dt time 0
-mult int -1
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