1g_principal(1)            GROMACS suite, VERSION 4.5            g_principal(1)
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NAME

6       g_principal - calculates axes of inertia for a group of atoms
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8       VERSION 4.5
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SYNOPSIS

11       g_principal  -f  traj.xtc  -s  topol.tpr -n index.ndx -a1 axis1.dat -a2
12       axis2.dat -a3 axis3.dat -om moi.dat -[no]h -[no]version  -nice  int  -b
13       time -e time -dt time -tu enum -[no]w -[no]foo
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DESCRIPTION

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

20       -f traj.xtc Input
21        Trajectory: xtc trr trj gro g96 pdb cpt
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23       -s topol.tpr Input
24        Structure+mass(db): tpr tpb tpa gro g96 pdb
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26       -n index.ndx Input, Opt.
27        Index file
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29       -a1 axis1.dat Output
30        Generic data file
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32       -a2 axis2.dat Output
33        Generic data file
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35       -a3 axis3.dat Output
36        Generic data file
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38       -om moi.dat Output
39        Generic data file
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OTHER OPTIONS

43       -[no]hno
44        Print help info and quit
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46       -[no]versionno
47        Print version info and quit
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49       -nice int 19
50        Set the nicelevel
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52       -b time 0
53        First frame (ps) to read from trajectory
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55       -e time 0
56        Last frame (ps) to read from trajectory
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58       -dt time 0
59        Only use frame when t MOD dt = first time (ps)
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61       -tu enum ps
62        Time unit:  fs,  ps,  ns,  us,  ms or  s
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64       -[no]wno
65        View output xvg, xpm, eps and pdb files
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67       -[no]foono
68        Dummy option to avoid empty array
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SEE ALSO

72       gromacs(7)
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74       More  information  about  GROMACS  is  available  at   <http://www.gro‐
75       macs.org/>.
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79                                Thu 26 Aug 2010                 g_principal(1)