[gmx-users] g_gyrate -p => the radii of gyration about the principal axes ?

[Justin A. Lemkul]

Chih-Ying Lin wrote:
> 
> 
> 
> Hi
> To Calculate the radii of gyration about the principal axes
> 
> I use the command
> g_gyrate -p
> 
> For lysozyme ,   I got  =>
> 0.922754     1.22249     1.25603
> 
> but in some paper, the authors got
> => 0.660  0.833  0.991
> 
> It is a quite difference.
> 

Are you specifically trying to replicate this particular study?  Are you using 
identical parameters, force field, etc?

> what is the definition of the radii of gyration about the principal axes  ?
> i have checked the Gromacs manual but see nothing there.
> 

The manual is not a comprehensive document.  It contains little more than 
Gromacs-specific information (which is certainly quite a lot).  For everything 
else, Google is your friend.

-Justin

> 
> Thank you
> 
> Lin
> 

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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