Figure 2.

Translational correlation function for TIP4P-2005 between 0.0 and 3.6 Å. The RDF between 0.0 and 3.6 Å from the bulk water simulation of TIP4P-2005 (blue line) and an “effective RDF” computed for voxels at the given distance from the origin (red line). The effective RDF is calculated by first computing the distance between the origin and the center of each voxel. Voxels at the same distance from the origin are then grouped together. The value of g(r) at each distance is calculated from the average number of water molecules in the group of voxels at that distance and their summed volume.