Simple water potential is a mathematical function that describes the energy interactions between water molecules in a molecular dynamics (MD) simulation. It takes into account the attractive and repulsive forces between water molecules, as well as the interactions with the surrounding environment.
Simple water potential is typically calculated using a force field, which is a set of mathematical equations and parameters that describe the energy interactions between water molecules. These equations take into account the distance between water molecules, as well as their charges and polarizabilities.
The factors that influence simple water potential in MD simulation include the geometry and arrangement of water molecules, the temperature and pressure of the system, and the type of force field used. Other factors such as ions or other solutes in the water can also affect the water potential.
Simple water potential determines the energy interactions between water molecules, which in turn affects their movement, arrangement, and dynamics in the simulation. It can also influence the properties of water, such as its density and viscosity.
Simple water potential is based on simplified mathematical models and may not accurately capture all the complexities of real water molecules. It also relies on the choice of force field, which may not be suitable for all systems. Additionally, it does not take into account quantum effects that may be important in certain situations.