g_principal(1)
NAME
g_principal - calculates axes of inertia for a group of atoms
VERSION 4.0.1
SYNOPSIS
g_principal -f traj.xtc -s topol.tpr -n index.ndx -a1 axis1.dat -a2 axis2.dat -a3 axis3.dat -om moi.dat -[no]h -nice int -b time -e time -dt time -tu enum -[no]w -[no]foo
DESCRIPTION
g_principal calculates the three principal axes of inertia for a group
of atoms.
FILES
- -f traj.xtc Input
- Trajectory: xtc trr trj gro g96 pdb cpt
- -s topol.tpr Input
- Structure+mass(db): tpr tpb tpa gro g96 pdb
- -n index.ndx Input, Opt.
- Index file
- -a1 axis1.dat Output
- Generic data file
- -a2 axis2.dat Output
- Generic data file
- -a3 axis3.dat Output
- Generic data file
- -om moi.dat Output
- Generic data file
OTHER OPTIONS
- -[no]hno
- 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)
- -tu enum ps
- Time unit: ps, fs, ns, us, ms or s
- -[no]wno
- View output xvg, xpm, eps and pdb files
- -[no]foono
- Dummy option to avoid empty array
SEE ALSO
- More information about GROMACS is available at <http://www.gromacs.org/>.