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Errors in Paper Describing "Round-Robin" Model for the 4th ChallengeSubmitted by site admin on Wed, 2007-01-24 09:23.
Please note that there are some typos in the paper by Wielopolski and Smith describing the "round-robin" model used as part of the 4th simulation challenge. On page 471, the oxygen charge should be -0.3216. On page 472, the Lennard-Jones size paramter σ(O-O) is incorrectly labeled as a mixed interaction σ(O-C). It is actually the oxygen size parameter. |