NSTEP =   497500   TIME(PS) =  100145.000  TEMP(K) =   298.22  PRESS =  -172.6
 Etot   =   -120749.3592  EKtot   =     21203.5704  EPtot      =   -141952.9296
 BOND   =       270.8700  ANGLE   =       656.1311  DIHED      =       808.2957
 1-4 NB =       312.6242  1-4 EEL =     -1971.7611  VDWAALS    =     23411.8648
 EELEC  =   -165440.9543  EHBOND  =         0.0000  RESTRAINT  =         0.0000
 EKCMT  =     10172.0859  VIRIAL  =     11487.3176  VOLUME     =    352903.2689
                                                    Density    =         1.0343
 Ewald error estimate:   0.4714E-04