[gmx-users] How to obtain the semi-axis lengths from inertia tensor for an aggregate

[sa]

Dear all,

I would to obtain the semi-axis lengths of a simulated micelle (in Ang) with
gromacs. So I have used the g_principal tool (correct ?).  My input command
was

g_principal_mpi -f  bDM-Self_Only_DDM_Center.xtc -s bDM_only.tpr -a1
bDM_Self_Axe1 -a2 bDM_Self_Axe2 -a3 bDM_Self_Axe3 -om bDM_Self_MOI.xvg -dt
10 -b 50000 -e 100000 < bDM_Mol.txt

Four files *Self_Axe*.dat and bDM_Self_MOI.dat were generated as
expected with four columns. How to deduce the semiaxis lenghts from these
files *Self_Axe*.dat files. The documentation of this tool is not very
clear.

A similar question was posted in the mailing list few days ago,
unfortunately no response was given:

http://www.mail-archive.com/gmx-users@gromacs.org/msg35963.html

Thanks in advance

SA
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