Due to the lack of understanding of the microscopic forces within water, there are many different water models that approximate the structure and/or properties. These models can be either rigid or flexible, with different structures and varying number of interaction sites for LJ and Coulombic force interactions. These differences in the models causes significant differences in calculated bulk liquid water properties. As a result of the number of water models and the differences in calculated properties, any simulation of water will be an approximation of the interactions. Thus a phenomenological approach, or the ability to reproduce experimental properties of water, is needed to assess the performance of the simulations. Then, the question remains as to how to assess the performance of the models. For AA biomolecular simulations, there are some common water models that are widely used: simple point-charge (SPC), extended simple point-charge (SPC/E), three-site transferrable intermolecular potential (TIP3P), four-site transferrable intermolecular potential (TIP4P), and five-site transferrable intermolecular potential (TIP5P). Earlier AA RNT simulations utilized SPC and TIP3P water models. For the purposes of this dissertation, only the 3-site water models will be discussed: SPC, SPC/E, and TIP3P. All three models have the typical structure of water, H-O-H, and the corresponding chemical parameters. However, the values of these parameters vary slightly, which affects the bulk properties of simulated water as shown in Table where A and B are the Lennard-Jones parameters found in Eq (9) and k c is the electrostatic constant.