Systematic comparison of force fields fo
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Michael Patra; Mikko Karttunen
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Article
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2004
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John Wiley and Sons
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English
β 198 KB
In this article we compare different force fields that are widely used (Gromacs, Charmm-22/x-Plor, Charmm-27, Amber-1999, OPLS-AA) in biophysical simulations containing aqueous NaCl. We show that the uncertainties of the microscopic parameters of, in particular, sodium, and, to a lesser extent, chlo