g_principal

Main Table of Contents

VERSION 4.5
Thu 26 Aug 2010


Description

g_principal calculates the three principal axes of inertia for a group of atoms.

Files

optionfilenametypedescription
-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

optiontypedefaultdescription
-[no]h gmx_bool no Print help info and quit
-[no]version gmx_bool no 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]w gmx_bool no View output xvg, xpm, eps and pdb files
-[no]foo gmx_bool no Dummy option to avoid empty array


http://www.gromacs.org
gromacs@gromacs.org