Dear Fellow Users, I am modeling a system of a monolayer adsorbed on a water/solid interface. I just freeze the solid substrate, and I use ewald_geometry = 3dc in the mdp file (a vaccum boundary is upon the water). As the mass of the monolayer is 3 times less than the substrate, and 13 times less than the solvent, I am not sure whether or not I should remove the com motion of the whole system. Does anyone have any suggestions?
Thank you
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