The reservoir regions create concentration or pressure gradients, enabling the study of transport processes driven by these gradients. For membrane studies, transport occurs across a model membrane positioned between the reservoirs. Since the early work by Heffelfinger and van Swol, numerous variants and alternatives have been introduced to enhance the computational efficiency of NEMD studies and to address limitations in the DCVGCMD method, especially for dense systems, where Monte Carlo (MC) particle swaps become inefficient. For instance, in the application of Boundary-Driven Non-equilibrium Molecular Dynamics, a designated region distant from the membrane pore is defined, where external forces are applied to the molecules within it. This setup generates a flux across the membrane, enabling the establishment of a steady state pressure gradient. Another variation of the DCVGCMD approach is the Concentration Gradient Driven Molecular Dynamics approach. In this method, again two control volumes are positioned on either side of the membrane. Each control volume is accompanied by an adjacent force region. The densities/concentrations within the control volumes are maintained by applying external forces applied to molecules within the force regions (acting like pumps), thereby establishing a steady-state concentration gradient across the membrane.