Abstract
In this chapter we survey more advanced aspects of integration approaches for biomolecular dynamics that are suitable for students interested in the mathematical issues of numerical schemes. We begin in Section 14.2 by introducing symplectic integrators in terms of an effective rotation in phase space and illustrate basic concepts by simple harmonic analysis.
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Schlick, T. (2010). Molecular Dynamics: Further Topics. In Interdisciplinary Applied Mathematics (Vol. 21, pp. 463–517). Springer Nature. https://doi.org/10.1007/978-1-4419-6351-2_14
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