VMD-L Mailing List

From: Sadegh Faramarzi Ganjabad (safaramarziganjabad_at_mix.wvu.edu)
Date: Mon Mar 14 2016 - 17:43:06 CDT

Hello all,

I am using 'measure inertia', trying to determine asymmetry parameter of a
structure from principal moments of inertia (I1, I2 and I3). Following is
the argument I use on VMD, and the results

measure inertia $sel moments eigenvals

{-3.099947452545166 -14.4624662399292 18.04184913635254}
{{0.10595881938934326 0.8530250787734985 -0.5109999179840088}
{-0.24898460507392883 0.520282506942749 0.8168922066688538}
{0.9626939296722412 0.04067419841885567 0.2675185799598694}} {{3119726.75
0.0 0.0} {-8870.5205078125 3985480.75 0.0} {-207580.5 -108537.25
3825170.75}} {4049397.5 3819312.5 3061668.25}

I am assuming the last three values (eigenvalues) are the ones I am looking
for, since they all have positive values. However, the values of principal
moments of inertia are supposed to be in order of 10 ^ 4 amu.nm^2, rather
than 10 ^ 6. Does anybody know what the units of the eigenvalues are?

Thanks
Sadegh