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Non-Ewald methods: theory and applications to molecular systems
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Description
Several non-Ewald methods for calculating electrostatic interactions have recently been developed, such as the Wolf method, the reaction field method, the pre-averaging method, and the zero-dipole summation method, for molecular dynamics simulations of various physical systems, including biomolecular systems. We review the theories of these approaches and their potential applications to molecular simulations, and discuss their relationships.
Journal
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- Biophysical Reviews
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Biophysical Reviews 4 (3), 161-170, 2012-09
Springer Science and Business Media LLC
