Reading file ../prod.tpr, VERSION 2018.8 (single precision)
Reading file ../prod.tpr, VERSION 2018.8 (single precision)
Group 0 ( System) has 15000 elements
Group 1 ( Other) has 15000 elements
Group 2 ( MOL) has 15000 elements
Select a group: 0
Selected 0: 'System'
Reading frame 0 time 0.000
Split group of 15000 atoms into 1200 molecules
Last frame 1000 time 2000.000
Prefactor fit E-H: 1 / 6.0*V*k_B*T: 6.77146e-12
Average translational dipole moment M_J [enm] after 1001 frames (|M|^2): 27.436449 11.485398 21.773859 (1372.107300)
Average molecular dipole moment M_D [enm] after 1001 frames (|M|^2): -0.251555 0.185796 -0.111117 (0.461318)
********************************************
Absolute values:
epsilon=2076.099854
<M_D^2> , <M_J^2>, <(M_J*M_D)^2>: (0.461318, 1372.107300, -7.947334)
Using 5 as mu_max and -1 as the dipole moment.
WARNING: EpsilonRF = 0.0, this really means EpsilonRF = infinity
Reading file ../prod.tpr, VERSION 2018.8 (single precision)
Group 0 ( System) has 15000 elements
Group 1 ( Other) has 15000 elements
Group 2 ( MOL) has 15000 elements
Select a group: 0
Selected 0: 'System'
There are 1200 molecules in the selection
There are 1200 charged molecules in the selection,
will subtract their charge at their center of mass
Last frame 1000 time 2000.000
Average volume over run is 153.481
Dipole moment (Debye)
---------------------
Average = 1.4691 Std. Dev. = 0.3901 Error = 0.0004
The following averages for the complete trajectory have been calculated:
Total < M_x > = -12.0944 Debye
Total < M_y > = 8.91253 Debye
Total < M_z > = -5.34884 Debye
Total < M_x^2 > = 353.16 Debye^2
Total < M_y^2 > = 418.246 Debye^2
Total < M_z^2 > = 293.092 Debye^2
Total < |M|^2 > = 1064.5 Debye^2
Total |< M >|^2 = 254.319 Debye^2
< |M|^2 > - |< M >|^2 = 810.179 Debye^2
Finite system Kirkwood g factor G_k = 0.312821
Infinite system Kirkwood g factor g_k = 0.276384
