
 NSTEP =   100000   TIME(PS) =     100.000  TEMP(K) =   300.09  PRESS =     0.0
 Etot   =    -18098.5603  EKtot   =      6886.8331  EPtot      =    -24985.3934
 BOND   =      4680.5518  ANGLE   =       156.4124  DIHED      =       185.7052
 1-4 NB =        68.8599  1-4 EEL =      -892.7634  VDWAALS    =      4913.2831
 EELEC  =    -34097.4424  EHBOND  =         0.0000  RESTRAINT  =         0.0000
 DV/DL  =       -10.5728
 Ewald error estimate:   0.3303E-03
