Fig. 5. Distribution of water molecules in cryptophane interior. The distance r is measured between the cryptophane center of mass and a water oxygen nucleus. (A) Radial distribution function g(r) for water when Xe is present in the interior (λ = 0). (B) Radial distribution function g(r) for water when Xe is absent from the interior (λ = 1). (C) Average number of water molecules N(r) within a distance r from the cryptophane center of mass in the absence of Xe. Curves are obtained from integrating the corresponding g(r).