Argyrios Karatrantos wrote:
Hi,
i calculate the RDF from NVT simulation of a solution of polyelectrolyte chains and their counterions. The RDF calculated is between the monomers of the chains and the counterions. I would expect that the equilibrated value of RDF would be 1.
However it is always lower than 1, at values of 0.9-0.95. Whats the reason of that , is anything wrong with my simulation?
I do a long enough run to stabilize the total energy of the system and temperature
Thanks in advance for your help
you may have vacuum in your system.
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