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g_dih(1) | GROMACS suite, VERSION 4.5.4-dev-20110404-bc5695c | g_dih(1) |
NAME¶
g_dih - analyzes dihedral transitionsSYNOPSIS¶
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 intDESCRIPTION¶
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.FILES¶
-f traj.xtc InputTrajectory: xtc trr trj gro g96 pdb cpt
Run input file: tpr tpb tpa
Generic output file
OTHER OPTIONS¶
-[no]hnoPrint help info and quit
Print version info and quit
Set the nicelevel
First frame (ps) to read from trajectory
Last frame (ps) to read from trajectory
Only use frame when t MOD dt = first time (ps)
View output .xvg, .xpm, .eps and .pdb files
Perform cluster analysis in dihedral space instead of analysing dihedral transitions.
mulitiplicity for dihedral angles (by default read from topology)
SEE ALSO¶
gromacs(7)Mon 4 Apr 2011 |