Brownian Dynamics#
In the limit of high friction, stochastic dynamics reduces to Brownian dynamics, also called position Langevin dynamics. This applies to over-damped systems, i.e. systems in which the inertia effects are negligible. The equation is
where
where
In BD there are no velocities, so there is also no kinetic energy. Still
gmx mdrun will report a kinetic energy and temperature based on
atom displacements per step