In terms of geometry agreement, we observed similar results between the RMSD and TFD plots. The ranking of the force fields is mostly the same as with the ddE rankings above, with OPLS4 CST performing best, followed by OPLS4 DEF , the latest Open Force Field release OpenFF-2.0.0 and finally GAFF-2.11. The use of the custom parameters made a notable improvement for OPLS4 compared to the default parameters in both the energetic and geometric comparisons. The OpenFF force fields show clear improvement with newer generations having higher densities close to zero and also by having tails successively reduced.