g_principal (1) - Linux Manuals

g_principal: calculates axes of inertia for a group of atoms

NAME

g_principal - calculates axes of inertia for a group of atoms

VERSION 4.0.1

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 -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

-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:  ps,  fs,  ns,  us,  ms or  s

-[no]wno
 View output xvg, xpm, eps and pdb files

-[no]foono
 Dummy option to avoid empty array