
 NSTEP =   6000 TIME(PS) =    12.000  TEMP(K) =    60.20  PRESS =     0.0
 Etot   =   -6690.0608  EKtot   =     230.1747  EPtot      =   -6920.2355
 BOND   =       4.8182  ANGLE   =      12.9937  DIHED      =       3.6043
 1-4 NB =      11.8455  1-4 EEL =     165.6491  VDWAALS    =    1671.0278
 EELEC  =   -8790.1740  EHBOND  =       0.0000  RESTRAINT  =       0.0000
 Ewald error estimate:   0.3872E-04
===============================================================================
                      NMR restraints for step   6000
 Energy (this step): Bond =    0.000   Angle =     0.000   Torsion =     0.000
 Energy (tot. run) : Bond =    0.000   Angle =     0.000   Torsion =     0.000

 DEVIATIONS:    Target=(r2+r3)/2                 Target = closer of r2/r3
            This step         Entire run        This step        Entire run
           ave.    rms       ave.    rms       ave.    rms      ave.     rms
 Bond      0.000   0.000     0.000   0.000     0.000   0.000     0.000   0.000
 Angle     0.000   0.000     0.000   0.000     0.000   0.000     0.000   0.000
 Torsion   0.000   0.000     0.000   0.000     0.000   0.000     0.000   0.000
===============================================================================
