DMC: A multifunctional hybrid dynamics/M
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S.D. Morley; D.E. Jackson; M.R. Saunders; J.G. Vinter
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Article
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1992
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John Wiley and Sons
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English
โ 896 KB
A hybrid conformational search algorithm (DMC) is described that combines a modified form of molecular dynamics with Metropolis Monte Carlo sampling, using the COSMIC(9O) force field. Trial configurations are generated by short bursts of high-temperature dynamics in which the initial kinetic energy