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. Author manuscript; available in PMC: 2011 Aug 20.
Published in final edited form as: J Chem Theory Comput. 2010 Aug 20;6(9):2924–2934. doi: 10.1021/ct100215c

Figure 5.

Figure 5

The coordinate system to characterize the position and orientation of water inside the hydration site. The z axis is perpendicular to the model hydrophobic plate, and the x axis is such defined that the other methane lie on the x axis. [r, θ, ϕ] are the typical spherical coordinates which define the position of the oxygen atom, and [χθ, χϕ, χσ] are three angles which define the orientation of the water around its oxygen.

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