We next showcase the performance of PySCES for two larger systems using the TeraChem TCPB library. First, we compare timings for 1 and 2 nodes for solvated fulvene as we increase the size of the explicit solvent environment and demonstrate the scaling of our NAMD implementation as a function of system size. Next, we model the charge transfer in an excited zinc phthalocyanine-C 60 donor-acceptor complex and provide insights into the computational effort needed to run NAMD simulations for systems consisting of over 100 heavy atoms.