GROMACS can be used to simulate basically anything. While its automated tools are designed around common biomolecules, nothing prevents a user from studying inorganic systems (yes, these have been done). There's even a hidden feature to perform simulations of planets :)

GROMACS can be used to simulate basically anything. While its automated tools are designed around common biomolecules, nothing prevents a user from studying inorganic systems (yes, these have been done). There's even a hidden feature to perform simulations of planets :)

As Justin said above, you can simulate anything. You don't simulate atoms, actually. You simulate interacting particles. As long as you can tell the GROMACS how particle interact (LJ forces, gravitation, electrical forces, humans pushing each other) you are good to go.

Ok and thank you very much