DTHETA= 4.500000 NTHETA= 20 NMASK= 2042 Number of atoms: 25977 25977 Atoms read. Total VDW area = 35507.38 Total saddle area = 45480.84 Total bowl area = 35578.52 Total surface area = 116566.73 Total VDW nrg = 4374.63 kJ Total saddle nrg = 9181.61 kJ Total bowl nrg = 3156.25 kJ Total SES energy = 16712.48 kJ pdbmask2.f90 v.12-OCT-01 2036.76user 4.64system 1:47:22elapsed 31%CPU (0avgtext+0avgdata 0maxresident)k 0inputs+0outputs (106major+16004minor)pagefaults 0swaps