1 .TH g_principal 1 "Thu 26 Aug 2010" "" "GROMACS suite, VERSION 4.5"
3 g_principal - calculates axes of inertia for a group of atoms
9 .BI "\-s" " topol.tpr "
10 .BI "\-n" " index.ndx "
11 .BI "\-a1" " axis1.dat "
12 .BI "\-a2" " axis2.dat "
13 .BI "\-a3" " axis3.dat "
14 .BI "\-om" " moi.dat "
16 .BI "\-[no]version" ""
25 \&g_principal calculates the three principal axes of inertia for a group
30 Trajectory: xtc trr trj gro g96 pdb cpt
32 .BI "\-s" " topol.tpr"
34 Structure+mass(db): tpr tpb tpa gro g96 pdb
36 .BI "\-n" " index.ndx"
40 .BI "\-a1" " axis1.dat"
44 .BI "\-a2" " axis2.dat"
48 .BI "\-a3" " axis3.dat"
58 Print help info and quit
60 .BI "\-[no]version" "no "
61 Print version info and quit
63 .BI "\-nice" " int" " 19"
66 .BI "\-b" " time" " 0 "
67 First frame (ps) to read from trajectory
69 .BI "\-e" " time" " 0 "
70 Last frame (ps) to read from trajectory
72 .BI "\-dt" " time" " 0 "
73 Only use frame when t MOD dt = first time (ps)
75 .BI "\-tu" " enum" " ps"
76 Time unit: \fB fs\fR, \fB ps\fR, \fB ns\fR, \fB us\fR, \fB ms\fR or \fB s\fR
79 View output xvg, xpm, eps and pdb files
82 Dummy option to avoid empty array
87 More information about \fBGROMACS\fR is available at <\fIhttp://www.gromacs.org/\fR>.