Hi! I have recently starded simulation of isotherms with Sorption module. I have started by trying to reproduce literature reported data of CO2 isothemr on metal organic framework HKUST-1 (Cu-BTC). my results indicate that the Materials Studio's isotherm prediction are higher than literature reported experimental and simulation data.
In many papers the forcefield, L-J parameters and charges on individual atoms have been reported. Can any body guide me, how can i manually assigne these parameters in MS. I am attaching supporting info of a paper which specify forcefield, L-J parameters and charges on individual atoms for your reference.

Thanks and regards,
Swapnil