What is BXDE?
To understand BXDE, it is important to have in mind what a potential energy surface is. Potential energy surfaces are a way of representing how the potential energy of a system varies with a particular coordinate.
The image above is a contour plot of a potential energy surface for a 2D particle. It shows how the potential energy of the particle changes as the x and y coordinates are varied. For example, at position 1 the particle has a lower potential energy than at position 2.
In general, having lower potential energy is better. So, if we run a dynamic simulation, the particle would spend more time in one of the two darker purple areas (see video below).
However, it would be good if we could…
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