How to calculate Mutual diffusion coefficient from particle coordinate file of Molecular Dynamics simulation?

Padidela uday kumar @Padidela-Uday-Kumar

07 February 2017 1 5K Report

Can any one please share me a code in any language which can be used to calculate mutual diffusion coefficient?

Norman Geist

See MSD - Mean Squared Displacement. I think it is implemented in ptraj from the Ambertools.

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