g_dih(1)
NAME
g_dih - analyzes dihedral transitions
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 dihe
- dral transitions.
- -mult int -1
- mulitiplicity for dihedral angles (by default read from topology)
SEE ALSO
- More information about the GROMACS suite is available in /usr/share/doc/gromacs or at <http://www.gromacs.org/>.