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Abstract
A new algorithm for molecular dynamics on the Connection Machine is presented and compared to an algorithm known from literature. The algorithms have been in implemented in CM Fortran 8x. Their performances, measured in CPU time, are compared and discussed for the simple Lennard-Jones system and for a liquid charged particle system. The implementation and performance of the Ewald sum, used for the charged particle system, is presented and discussed. The new algorithm is suitable for use with a cut off radius. Other advantages of the algorithm are discussed.