van der Waals: LVDW = T VDW_VERSION= 2 ; VDW_RADIUS = 40 ; VDW_SCALING = 0.75 # Parameters: Cu C H O VDW_C6 = 2.740 1.750 0.140 0.700 VDW_R0 = 1.562 1.452 1.001 1.342