Provided by: gromacs-data_4.6.5-1build1_all bug


       g_gyrate - calculates the radius of gyration

       VERSION 4.6.5


       g_gyrate  -f  traj.xtc  -s  topol.tpr  -n  index.ndx -o gyrate.xvg -acf moi-acf.xvg -[no]h
       -[no]version -nice int -b time -e time -dt time -[no]w -xvg enum -nmol int  -[no]q  -[no]p
       -[no]moi -nz int -acflen int -[no]normalize -P enum -fitfn enum -ncskip int -beginfit real
       -endfit real


        g_gyrate computes the radius of gyration of a molecule and the radii  of  gyration  about
       the  x-,  y- and  z-axes, as a function of time. The atoms are explicitly mass weighted.

       With the  -nmol option the radius of gyration will be calculated for multiple molecules by
       splitting the analysis group in equally sized parts.

       With the option  -nz 2D radii of gyration in the  x-y plane of slices  along  the   z-axis
       are calculated.


       -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

       -o gyrate.xvg Output
        xvgr/xmgr file

       -acf moi-acf.xvg Output, Opt.
        xvgr/xmgr file


        Print help info and quit

        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)

        View output  .xvg,  .xpm,  .eps and  .pdb files

       -xvg enum xmgrace
        xvg plot formatting:  xmgrace,  xmgr or  none

       -nmol int 1
        The number of molecules to analyze

        Use absolute value of the charge of an atom as weighting factor instead of mass

        Calculate the radii of gyration about the principal axes.

        Calculate the moments of inertia (defined by the principal axes).

       -nz int 0
        Calculate the 2D radii of gyration of this number of slices along the z-axis

       -acflen int -1
        Length of the ACF, default is half the number of frames

        Normalize ACF

       -P enum 0
        Order of Legendre polynomial for ACF (0 indicates none):  0,  1,  2 or  3

       -fitfn enum none
        Fit function:  none,  exp,  aexp,  exp_exp,  vac,  exp5,  exp7,  exp9 or  erffit

       -ncskip int 0
        Skip this many points in the output file of correlation functions

       -beginfit real 0
        Time where to begin the exponential fit of the correlation function

       -endfit real -1
        Time where to end the exponential fit of the correlation function, -1 is until the end



       More information about GROMACS is available at <>.

                                          Mon 2 Dec 2013                              g_gyrate(1)