VMD-L Mailing List

From: Alessandro Ruda (alessandro.ruda_at_su.se)
Date: Sat Feb 26 2022 - 09:59:14 CST

Hello,

can you please explain me the output of the command:

  * measure inertia $sel moments eigenvals

I get this:

-----------------------
{3.9721615314483643 -8.11227798461914 -0.3456442058086395} {{0.43753355741500854 0.7199295163154602 -0.5387633442878723} {0.5724488496780396 0.23904766142368317 0.7843203544616699} {0.6934455633163452 -0.6515809893608093 -0.3075314462184906}} {{3325.921875 0.0 0.0} {1363.7855224609375 3866.033935546875 0.0} {148.9542236328125 -924.222412109375 4272.4775390625}} {5386.5146484375 4099.5068359375 1978.4119873046875}

Guessing symmetry
Pointgroup: C1, rmsd = 0
Elements:
unique= {1 1 1}
-------------------------

As far as I understood the moment of inertia (eigenvalues) are the last three values in the list, i.e. {5386.5146484375 4099.5068359375 1978.4119873046875}.
But for the rest of the values I am not sure what they refer to exactly.

Thank you in advance!

All the best,
Alessandro