This dataset contains the atomic coordinates of several water models produced using the NAMD molecular dynamics software. The contents of each file is listed below. water_81_coords.pdb - water only cubic box side length 81A water_243_coords.pdb - water only cubic box side length 243A water_486_coords.pdb - water only cubic box side length 486A water_645_coords.pdb - water only cubic box side length 645A unconstrained_apo_298_coords.pdb - water and Apoferritin where Apoferritin atoms are unconstrained constrained_apo_298_coords.pdb - water and Apoferritin where Apoferritin atoms are constrained 77_constrained_apo_scaled.pdb - water and constrained Apoferritin scaled to lower water density 77_unconstrained_apo_scaled.pdb - water and unconstrained Apoferritin scaled to lower water density