[gmx-users] principal moments of ellipsoid

Justin A. Lemkul jalemkul at vt.edu
Tue May 10 14:27:33 CEST 2011

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.




Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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