Molecular dynamics simulation of a polym
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LEMAK, A. S.; BALABAEV, N. K.
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Article
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1996
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John Wiley and Sons
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English
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This article describes the collisional dynamics (CD) method adapted for molecules with geometrical constraints within a description using Cartesian coordinates for the atoms. In the CD method, stochastic collisions with virtual particles are included in usual molecular dynamics simulations to couple