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.