Solvents: Difference between revisions
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{{Category:Solvents}} | |||
Revision as of 21:27, 27 June 2008
This section discusses various solvent models that can be used in molecular simulations. Generally speaking, there is a trade-off between detailed description and computational speed to be made. Depending on the problem, one or the other may be more important. This page may help you to make this decision.
Explicit solvent
Three-site models
Four-site models
Five-site models
Implicit solvent
Poisson-Boltzmann
Generalized Born
Constant dielectric
Solvents contains pages that deal with the question how the solvent (typically water and ions) are represented.
