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\section{\label{sec:SSD}Water Model: SSD and Derivatives} |
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In the interest of computational efficiency, the native solvent used |
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in OOPSE is the Soft Sticky Dipole (SSD) water model. SSD was |
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in {\sc oopse} is the Soft Sticky Dipole (SSD) water model. SSD was |
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developed by Ichiye \emph{et al.} as a modified form of the |
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hard-sphere water model proposed by Bratko, Blum, and |
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Luzar.\cite{Bratko85,Bratko95} It consists of a single point dipole |
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SSD model that led to lower than expected densities at all target |
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pressures.\cite{Ichiye03,Gezelter04} Reparameterizations of the |
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original SSD have resulted in improved density behavior, as well as |
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alterations in the water structure and transport behavior. OOPSE is |
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alterations in the water structure and transport behavior. {\sc oopse} is |
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easily modified to impliment these new potential parameter sets for |
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the derivative water models: SSD1, SSD/E, and SSD/RF. All of the |
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variable parameters are listed in the accompanying BASS file, and |
