[gmx-users] principal moments of ellipsoid

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


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.
-- 
wade
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110510/685604f7/attachment.html>


More information about the gromacs.org_gmx-users mailing list