sed utility to replace /307 with comma Post: 98176

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g_principal

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)

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