Previous research has demonstrated the efficacy of thermostats in mitigating energy drift in both NVT and NPT simulations. Building upon these findings, we employed Langevin dynamics as a thermostat within the NPT ensemble to estimate dU dλ for both the cAMP and ethane to ethanol transformations. Tables and present the average and standard deviation of dU dλ calculated from total 80 ns of simulations. This data was generated by performing eight independent 10 ns simulations at each λ point for both transformations.