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А.Л. Рабинович, Д.В. Журкин.
Существенная выборка при моделировании непрерывного спектра конформаций макромолекул методом Монте-Карло
// Труды КарНЦ РАН. No 1. Сер. Математическое моделирование и информационные технологии. Вып. 4. 2013. C. 96-111
A.L. Rabinovich, D.V. Zhurkin. An importance sampling for Monte Carlo simulation of a continuous spectrum of conformations of macromolecules // Transactions of Karelian Research Centre of Russian Academy of Science. No 1. Mathematical Modeling and Information Technologies. Vol. 4. 2013. Pp. 96-111
Keywords: Monte Carlo simulation, importance sampling, chain molecules, continuous spectrum of conformations
An importance sampling technique for Monte Carlo simulation of chain molecules assuming a continuous spectrum of their conformations is described. The algorithm takes into account the interdependence of each three torsion angles along the chain. It is used to study the equilibrium properties of hydrocarbon chains of different structure.
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Last modified: July 7, 2013