Quasi-Hamiltonian equations of motion fo
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Mazur, Alexey K.
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Article
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1997
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John Wiley and Sons
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English
โ 215 KB
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Conventional molecular dynamics simulations of macromolecules require long computational times because the most interesting motions are very slow compared to the fast oscillations of bond lengths and bond angles that limit the integration time step. Simulation of dynamics in the space of internal co