Magnetic molecular dynamics simulations with Velocity Verlet algorithm

In this paper, we present the implementation of an external static magnetic field with the Velocity Verlet algorithm for performing Molecular Dynamics simulations. Molecular Dynamics simulations allow to understand at molecular level the interaction mechanisms between atoms under specific conditions. We performed our simulation with the Gromacs package, usually used to simulate the action of an external electric field acting on a molecular target. Here, the integration of Newton equation is presented by introducing the Lorentz force for the magnetic field action. The implementation and preliminary trials are reported.