
 NSTEP =        0   TIME(PS) =       0.000  TEMP(K) =     0.00  PRESS = -2101.2
 Etot   =     -3622.8391  EKtot   =         0.0000  EPtot      =     -3622.8391
 BOND   =         0.0234  ANGLE   =         0.0000  DIHED      =         0.0000
 1-4 NB =         0.0000  1-4 EEL =         0.0000  VDWAALS    =       471.0407
 EELEC  =     -4093.9032  EHBOND  =         0.0000  RESTRAINT  =         0.0000
 DV/DL  =        -0.1836
 EKCMT  =         0.0000  VIRIAL  =      1067.1820  VOLUME     =     23522.5632
                                                    Density    =         0.6156
 Ewald error estimate:   0.3503E-04
  Softcore part of the system:     1 atoms,         TEMP(K)    =           0.00
 SC_BOND=         0.0000  SC_ANGLE=         0.0000  SC_DIHED   =         0.0000
 SC_14NB=         0.0000  SC_14EEL=         0.0000  SC_EKIN    =         0.0000
 SC_VDW =         0.0000  SC_EEL  =         0.0000  SC_DERIV=        -0.0033
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