Molecular Mechanics Simulations of the Three Dimensional Cavity Problem
Abstract
The rapid development of computer technology has resulted in broad interest in three dimensional fluid simulation, which is known to have more complex force interactions than occur in two dimensions (see, e.g., refs. [1-6], [9], [11-15], [17], [18] and the additional references therein). In this paper we develop and analyze some molecular mechanics simulations of the three dimensional cavity problem. The fluid considered is water at 15° C.