
 NSTEP =   100000   TIME(PS) =     100.000  TEMP(K) =   298.32  PRESS =     0.0
 Etot   =    -18046.9655  EKtot   =      6846.2016  EPtot      =    -24893.1671
 BOND   =      4555.0182  ANGLE   =       141.3290  DIHED      =       210.5396
 1-4 NB =        73.6899  1-4 EEL =     -1054.3051  VDWAALS    =      4681.4518
 EELEC  =    -33500.8904  EHBOND  =         0.0000  RESTRAINT  =         0.0000
 DV/DL  =       673.7890
 Ewald error estimate:   0.6621E-04
