Dear All,

I applied an external force using the “ExternalForceStrength” option in the Forcite module for MD simulations of a membrane–solvent system, where the unit of the force is kcal/mol/Å. In experimental studies, pressure driving solvent permeation through a membrane is typically applied along the z-direction. Could someone explain how to relate kcal/mol/Å to a macroscopic pressure value? For example, I need to apply a pressure of 8 bar in my simulation.

Thanks

Hakkim