Skip to main content
. Author manuscript; available in PMC: 2009 Oct 21.
Published in final edited form as: J Chem Theory Comput. 2009 Jun 9;5(6):1462–1473. doi: 10.1021/ct900078k

Figure 4.

Figure 4

The first shell orientational Shannon entropy S[t1,t2] for the TIP3P model as a function of the number of data points (labeled on the horizontal axis in front of "/" in units of 1000) and the corresponding simulation time (labeled on the horizontal axis in parentheses) using histogram method. The weighted average of the NN estimates and the associated error bar were also depicted.