g_gyrate(1) - Linux man page
Name
g_gyrate - calculates the radius of gyrationVERSION 4.5.4-dev-20110404-bc5695c
Synopsis
Description
g_gyrate computes the radius of gyration of a group of atoms 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.
Files
-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
Other Options
-[no]hno Print help info and quit-[no]versionno 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)
-[no]wno 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
-[no]qno Use absolute value of the charge of an atom as weighting factor instead of mass
-[no]pno Calculate the radii of gyration about the principal axes.
-[no]moino Calculate the moments of inertia (defined by the principal axes).
-nz int 0 Calculate the 2D radii of gyration of slices along the z-axis
-acflen int -1 Length of the ACF, default is half the number of frames
-[no]normalizeyes 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 N 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
See Also
gromacs(7)More information about GROMACS is available at <http://www.gromacs.org/>.