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In computer simulations performed in constant number of particles ensembles,although the total number of particles N contained in the simulation box doesnot fluctuate, hence giving a zero apparent compressibility, there are stilllocal fluctuations in the number of particles. It is shown herein that theseapparent fluctuations produce a compressibility that can be computed from thecalculated radial distribution function, and which matches to a great accuracythe compressibility of the fluid for the open system. This statement impliesthat the radial distribution function evaluated in simulation of constantnumber of particles is identical to that evaluated in the grand canonicalensemble, for the entire distance range within half-box width. This isillustrated for the hard sphere and Lennard-Jones fluids and for molecularmodels of water. The origin of this apparent fluctuation is that the bulk ofthe remaining particles, outside the range over which the distribution functionis calculated, act as a reservoir of particles for those within this range,thanks to the periodic boundary conditions. The implications on the calculationof the Kirkwood-Buff integrals are discussed.

Apparent density fluctuations in N-constant ensemble simulations