NAME¶

g_principal - calculates axes of inertia for a group of atoms VERSION 4.5.4-dev-20110404-bc5695c

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 -[no]version -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 -[no]versionno
Print version 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: fs, ps, 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¶

gromacs(7) More information about GROMACS is available at <http://www.gromacs.org/>.