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J. P. Ryckaert, G. Ciccotti, H. J. C. Berendsen, “Numeri- cal Integration of the Cartesian Equations of Motion of a System with Constraints: Molecular Dynamics of n-al- kanes,” Journal of Computational Physics, Vol. 23, No. 3, March 1977, pp. 327-341. doi:10.1016/0021-9991(77)90098-5

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