[gmx-users] g_gyrate

[David van der Spoel]

On Fri, 2003-10-10 at 07:58, Dallas Warren wrote:
> Just wondering if someone knows exactly what or how this script
> performs the calculation?
> 
> The values it gives out are the radius of gyration and the principle
> radii of gyration; rx, ry and rz.  I would assume that r is an average
> radius of gyration.  However, that does not appear to be the case as
> the values that I am getting for r are larger than rx, ry and rz.  Any
> insight?
r = sqrt(rx^2+ry^2+rz^2)
> 
> Thank you.
> 
> Catch ya,
> 
> 
> Dr. Dallas Warren
> Research Fellow
> Department of Pharmaceutical Biology and Pharmacology
> Victorian College of Pharmacy, Monash University
> 381 Royal Parade, Parkville VIC 3010
> dallas.warren at vcp.monash.edu.au
> +61 3 9903 9083
> --------------------------------------------------------------------------
> When the only tool you own is a hammer, every problem begins to
> resemble a nail.
-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assist. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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