[gmx-users] principal moments of ellipsoid

lammps lammps lammp2forum at gmail.com
Tue May 10 14:25:47 CEST 2011


However, what does the data in axis1.dat, axis2.dat, axis3.dat and moi.dat

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.
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