[gmx-users] principal moments of ellipsoid

[Justin A. Lemkul]

lammps lammps wrote:
> Yes,
>  
> However, what does the data in axis1.dat, axis2.dat, axis3.dat and 
> moi.dat mean?
>  
> Should I put the center-of-mass of the molecule in the origin when using 
> the g_principal command?
>  
> It seems that the inertia is calculated relative to the origin. May be 
> my understanding wrong.

http://lists.gromacs.org/pipermail/gmx-users/2010-November/055453.html

-Justin

-- 
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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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