For certain systems or geometries, electronic structure calculations of the ground or excited state can sometimes fail to converge, and then the NAMD simulation will need to be restarted. Additional TeraChem options, e.g. modified convergence or integral thresholds, can help limit or prevent these failures. We have implemented the ability to specify additional TeraChem runtime options for specific gradient/NAC jobs or for a specified number of initial time steps at the start of a simulation. These options can also request the calculation of additional electronic structure properties, such as ground and excited state point charges, throughout a simulation. We note that computing dynamical observables in the LSC method requires an ensemble of classical trajectories that can be evolved as independent simulations in parallel. The current implementation of PySCES does not parallelize this step.