source leaprc.ff14SB source leaprc.gaff source leaprc.lipid14 loadamberparams LIG.frcmod loadamberparams BU72_Params/LIG.frcmod loadamberparams frcmod.ionsjc_tip3p loadoff LIG.lib loadoff BU72_Params/LIG.lib complex = loadpdb 6DDE_BU72_BMS_986121.pdb saveamberparm complex 6DDE_BU72_BMS_986121.top 6DDE_BU72_BMS_986121.crd quit