[gmx-users] inertia

Antonia V. antonia_haha at hotmail.com
Thu Mar 19 16:43:16 CET 2009


I want to calculate the moments of inertia of a system of liquid crystals. Using the tool g_gyrate I get 5 values. The three last values are called I1, I2 and I3. I suppose that they are Ixx, Iyy and Izz respectively. Is that correct?
What about the second column which is called Itot. What is that? 
And about the units that are used for the components of I, a.m.u. nm\S2\N.. N is the Avogadro number? And what is S2??

And something else. When using g_principal I get three output .dat files 1, 2, 3. Does axis1.dat refer to Ixx, Ixy, Ixz, axis2.dat to Iyx, Iyy, Iyz etc?

Thank you for your help

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