Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

Jean-Paul Ryckaert(Université Paris Cité), Giovanni Ciccotti(Université Paris Cité), Herman J. C. Berendsen(Université Paris Cité)

Journal of Computational Physics

March 1, 1977

10.1016/0021-9991(77)90098-5

Cited by 21,413

Abstract

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