As far as I understand -
- In MD, when a particle or coordinate moves beyond one face of the simulation box, it reappears on the opposite face as if the box were replicated infinitely in all directions. Each of these replicated positions is called a periodic image.
Then what is a "nearest image"?
What is the difference between a "periodic image" and a "nearest image" in MD simulation?
Do I need first to obtain a "periodic image" to calculate a "nearest image"?