g_principal(1) GROMACS suite, VERSION 4.5.4-dev-20110404-bc5695c g_principal(1)
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/>.
Mon 4 Apr 2011 g_principal(1)
