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. Author manuscript; available in PMC: 2009 Jul 8.
Published in final edited form as: J Chem Phys. 2007 Jul 14;127(2):024107. doi: 10.1063/1.2746329

FIG. 8.

FIG. 8

Convergence plots of the temperature weighted entropy for alkanes as computed using ACCENT-MM for a simulation temperature of 1000 K. The frames are: (a) butane; (b), pentane; (c), hexane; (d), heptane; (e), octane; (f), nonane; and (g), cyclohexane. The data include the first-order approximation to the total entropy (short dash), the second-order approximation to the total entropy (long dash), and the third-order approximation to the total entropy (dotted). The solid line shows the value obtained using Mining Minima.