Provided by: gromacs-data_4.6.5-1build1_all
NAME
g_principal - calculates axes of inertia for a group of atoms VERSION 4.6.5
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/>. Mon 2 Dec 2013 g_principal(1)