The temperature dependent free energy calculations uses the previously established pseudo super critical path (PSCP) and temperature replica exchanges (REMD) method. The reference state for the PSCP free energy calculation is performed at 300K, and the temperature REMD is run in the range of 100-500K under the NPT ensemble. The free energy changes along the temperatures are extrapolated to 0K, and the 0K enthalpies are corrected to be the same as the periodic DFT relative energy results. All the free energy calculations are done with Desmond on GPU with the OPLS4 force field.