How can I calculate eccetricity of an aggregate throughout a time frame of GROMACS simulation?

01 August 2021 0 1K Report

I have simulated a reverse micellar system in GROMACS. I want to see how the shape of the polar core is changing with time. Eccentricity calculation can be a good study for this purpoose. It will be very helpful if I get any reference on how to calculate eccentricity and required script for the calculation.

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fatal error

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fatal error

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