g_principal

Main Table of Contents

VERSION 4.6.5
Mon 2 Dec 2013


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


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