I have a system of molecules in two different solvents in which aggregation occurs, but visually in different ways. In one, aggregation occurs rapidly, but in another sparsely. These MD simulations were performed with gromacs. Is there any way I can quantify the aggregation, like as a fraction of monomer of these solute molecules? Radial distribution function can be a good place to start with, but how do I quantify it? Thanks.



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