Molecular Dynamics Simulations of Water Systems (IMAGE)
Caption
In molecular dynamics simulations of water systems, where water molecules are treated as rigid bodies, it is important to use a small time-step. This small time-step helps ensure that the average rotational energy of a water molecule matches its average translational energy, which leads to more accurate predictions of the simulation's properties.
Credit
Image: Dilip Asthagiri, ORNL. U.S. Dept. of Energy.
Usage Restrictions
No restrictions.
License
Public Domain