I'm thinking about a quick-and-dirty approach to molecular dynamics, mostly for teaching purposes.
At a given temperature, statistical mechanics tells us molecules have translational and rotational and vibrational energy as given by the equipartition theorem. At a basic level, all three motions derive from movement of the individual atoms along Cartesian axes.
So it seems like a very simple quick-and-dirty approximate molecular mechanics could be implemented by "shaking" the individual atoms with mass-weighted random displacements. You'd need to implement some sort of force field to make sure the added displacements would fall into the correct potential energy distribution for a given molecule.
Quick searching doesn't seem to find this as an approach, likely because it won't obey a particular canonical ensemble.
I'm curious... Has anyone implemented such a method for qualitative visualization? What are some of the pitfalls compared to "proper" molecular dynamics? (e.g., presumably ensuring the proper velocities?)