How to convert CGS/SI units to reduced units for MD simulations for a protein?

Vigneshwaran Kannan @Vigneshwaran-Kannan-2

15 December 2020 0 1K Report

I want to minimize the Lennard Jones Potential and charged electrostatic potential for a tetrapeptide. However, as the parameters like epsilon and partial charges are not the same for different atoms. How to express the potential in reduced units?

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