Set Up Relative FEP Calculations can not generate the Vacuum Ligands to to perform the FEP calculations under Hydration system in CHARMm Relative FEP Calculations (GPU) protocol. However the progarm Set Up MSLD Calculations could make it.

Set Up Relative FEP Calculations can not generate the Vacuum Ligands to to perform the FEP calculations under Hydration system in CHARMm Relative FEP Calculations (GPU) protocol. However the progarm Set Up MSLD Calculations could make it.