[gmx-users] Radius of gyration and moment of inertia

Aishwarya Dhar dhar.aishwarya at gmail.com
Fri Jan 25 19:11:02 CET 2019


Hi,
I am trying to find the moment of inertia of an aggregate.
I have used the command gmx gyrate -f  test.gro -s test.gro -p yes -mol
yes  -o out.xvg

For two aggregates the the shape is similar but the values are
very different for Ix Iy Iz

For an aggregate 1
Ix                 Iy              Iz
81538.8      243689      251837

For aggregate 2
Ix                   Iy                 Iz
144172      498275      517148
Could you please help me as what could the possible solution?



Thanks in advance


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