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Matematicheskoe modelirovanie, 2004, Volume 16, Number 2, Pages 102–110 (Mi mm348)  

This article is cited in 2 scientific papers (total in 2 papers)

On periodic boundary conditions for chain molecule in off lattice model

E. M. Pestryaev

Ufa State University of Oil and Technology
References:
Abstract: Periodic boundary conditions algorithm for chain molecule in off lattice molecular dynamics has been developed. The chain length can be essentially more than any size of modeled volume. The algorithm permits to save system puck coefficient by replacement of chain part out of the modeled volume by virtual particles and to simulate chain large-scale motions. The algorithm has been completed by virtual displacement method to observe chain mass center displacement exceeding chain characteristic size and modeled system size. The virtual displacement method is based on the application of kinematical quantities, which do not change under realization of periodic boundary conditions unlike the displacement itself, which cannot exceed the modeled volume sizes.
Received: 20.01.2003
Bibliographic databases:
Language: Russian
Citation: E. M. Pestryaev, “On periodic boundary conditions for chain molecule in off lattice model”, Matem. Mod., 16:2 (2004), 102–110
Citation in format AMSBIB
\Bibitem{Pes04}
\by E.~M.~Pestryaev
\paper On periodic boundary conditions for chain molecule in off lattice model
\jour Matem. Mod.
\yr 2004
\vol 16
\issue 2
\pages 102--110
\mathnet{http://mi.mathnet.ru/mm348}
\zmath{https://zbmath.org/?q=an:1109.92316}
Linking options:
  • https://www.mathnet.ru/eng/mm348
  • https://www.mathnet.ru/eng/mm/v16/i2/p102
  • This publication is cited in the following 2 articles:
    Citing articles in Google Scholar: Russian citations, English citations
    Related articles in Google Scholar: Russian articles, English articles
    Математическое моделирование
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