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. Author manuscript; available in PMC: 2016 Feb 26.
Published in final edited form as: J Comput Chem. 2012 Mar 27;33(15):1383–1392. doi: 10.1002/jcc.22971

Figure 4. The convergence of TSpw with increased sampling.

Figure 4

The calculated protein-water entropy of the first hydration site for the TIP4P-2005 (magenta) and TIP5P-Ewald (cyan) models using different levels of sampling from the 2,000,000 configurations. For the eight points plotted for each water model 10,000, 20,000, 50,000, 100,000, 200,000, 500,000, 1,000,000, and 2,000,000 samples were taken.