NSTEP = 1500 TIME(PS) = 2544.925 TEMP(K) = 298.90 PRESS = 0.0 Etot = -234218.8973 EKtot = 54889.5798 EPtot = -289108.4770 BOND = 1110.7974 ANGLE = 2987.1750 DIHED = 2222.5486 1-4 NB = 1320.4979 1-4 EEL = 15117.2033 VDWAALS = 36711.5334 EELEC = -348578.2326 EHBOND = 0.0000 RESTRAINT = 0.0000 Ewald error estimate: 0.7548E-04