How to model hard-spheres of fixed radius and charge for Molecular Dynamics simulation?

10 May 2019 0 5K Report

I am seeking to setup a dynamics simulation in GROMACS to study the effects of crowding substances "modeled as hard-spheres" on polymer blends in water. Can somebody please guide me how to model the hard spheres with different radius and charge (or direct me towards relevant literature). Thanks in advance.

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