g_principal(1) - Linux man page

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 -niceint -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

-ftraj.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