### Regression test of kinetic energy equipartition check using flat files
### System: Octanol2
## Creating result object

## Validating kinetic energy equipartition (strict)
Equipartition: Testing group-wise kinetic energies (strict)
* total:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
p = 0.748702
* translational:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
p = 0.688002
* rotational and internal:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
p = 0.646918
* rotational:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
p = 0.865427
* internal:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
p = 0.826656
Equipartition: Testing group-wise kinetic energies (strict)
* total:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
p = 0.748702
* translational:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
p = 0.688002
* rotational and internal:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
p = 0.646918
* rotational:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
p = 0.865427
* internal:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
p = 0.826656
Testing randomly divided group 0
Equipartition: Testing group-wise kinetic energies (strict)
* total:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
p = 0.960578
* translational:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
p = 0.0825405
* rotational and internal:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
p = 0.386946
* rotational:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
p = 0.785605
* internal:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
p = 0.771477
Testing randomly divided group 1
Equipartition: Testing group-wise kinetic energies (strict)
* total:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
p = 0.811302
* translational:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
p = 0.159093
* rotational and internal:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
p = 0.913783
* rotational:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
p = 0.656605
* internal:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
p = 0.704896
Testing predifined divided group 0
Equipartition: Testing group-wise kinetic energies (strict)
* total:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
p = 0.811302
* translational:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
p = 0.159093
* rotational and internal:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
p = 0.913783
* rotational:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
p = 0.656605
* internal:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
p = 0.704896
Testing predifined divided group 1
Equipartition: Testing group-wise kinetic energies (strict)
* total:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
p = 0.960578
* translational:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
p = 0.0825405
* rotational and internal:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
p = 0.386946
* rotational:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
p = 0.785605
* internal:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
p = 0.771477

## Validating kinetic energy equipartition (non-strict)
Equipartition: Testing group-wise kinetic energies (non-strict)
* total:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
T(mu) = 298.20 +- 4.15 K
T(sigma) = 308.64 +- 13.18 K
* translational:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
T(mu) = 302.58 +- 10.89 K
T(sigma) = 306.93 +- 14.92 K
* rotational and internal:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
T(mu) = 297.48 +- 4.36 K
T(sigma) = 299.80 +- 12.87 K
* rotational:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
T(mu) = 298.10 +- 10.32 K
T(sigma) = 303.22 +- 16.23 K
* internal:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
T(mu) = 297.35 +- 4.72 K
T(sigma) = 293.71 +- 12.57 K
Equipartition: Testing group-wise kinetic energies (non-strict)
* total:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
T(mu) = 298.20 +- 4.15 K
T(sigma) = 308.64 +- 13.18 K
* translational:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
T(mu) = 302.58 +- 10.89 K
T(sigma) = 306.93 +- 14.92 K
* rotational and internal:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
T(mu) = 297.48 +- 4.36 K
T(sigma) = 299.80 +- 12.87 K
* rotational:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
T(mu) = 298.10 +- 10.32 K
T(sigma) = 303.22 +- 16.23 K
* internal:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
T(mu) = 297.35 +- 4.72 K
T(sigma) = 293.71 +- 12.57 K
Testing randomly divided group 0
Equipartition: Testing group-wise kinetic energies (non-strict)
* total:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
T(mu) = 297.17 +- 5.94 K
T(sigma) = 296.33 +- 15.00 K
* translational:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
T(mu) = 307.15 +- 15.39 K
T(sigma) = 293.07 +- 20.47 K
* rotational and internal:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
T(mu) = 295.51 +- 6.51 K
T(sigma) = 300.44 +- 11.96 K
* rotational:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
T(mu) = 302.47 +- 14.23 K
T(sigma) = 297.86 +- 16.74 K
* internal:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
T(mu) = 294.11 +- 7.06 K
T(sigma) = 288.10 +- 11.78 K
Testing randomly divided group 1
Equipartition: Testing group-wise kinetic energies (non-strict)
* total:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
T(mu) = 299.24 +- 5.56 K
T(sigma) = 306.73 +- 14.17 K
* translational:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
T(mu) = 298.01 +- 15.93 K
T(sigma) = 320.28 +- 20.67 K
* rotational and internal:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
T(mu) = 299.45 +- 6.11 K
T(sigma) = 302.41 +- 12.31 K
* rotational:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
T(mu) = 293.73 +- 14.18 K
T(sigma) = 286.74 +- 17.58 K
* internal:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
T(mu) = 300.59 +- 6.64 K
T(sigma) = 307.24 +- 12.32 K
Testing predifined divided group 0
Equipartition: Testing group-wise kinetic energies (non-strict)
* total:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
T(mu) = 299.24 +- 5.56 K
T(sigma) = 306.73 +- 14.17 K
* translational:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
T(mu) = 298.01 +- 15.93 K
T(sigma) = 320.28 +- 20.67 K
* rotational and internal:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
T(mu) = 299.45 +- 6.11 K
T(sigma) = 302.41 +- 12.31 K
* rotational:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
T(mu) = 293.73 +- 14.18 K
T(sigma) = 286.74 +- 17.58 K
* internal:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
T(mu) = 300.59 +- 6.64 K
T(sigma) = 307.24 +- 12.32 K
Testing predifined divided group 1
Equipartition: Testing group-wise kinetic energies (non-strict)
* total:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
T(mu) = 297.17 +- 5.94 K
T(sigma) = 296.33 +- 15.00 K
* translational:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
T(mu) = 307.15 +- 15.39 K
T(sigma) = 293.07 +- 20.47 K
* rotational and internal:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
T(mu) = 295.51 +- 6.51 K
T(sigma) = 300.44 +- 11.96 K
* rotational:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
T(mu) = 302.47 +- 14.23 K
T(sigma) = 297.86 +- 16.74 K
* internal:
Equilibration, decorrelation and tail pruning was skipped on user request. Note that if the provided trajectory is statistically correlated, the results of the physical validation checks might be invalid.
T(mu) = 294.11 +- 7.06 K
T(sigma) = 288.10 +- 11.78 K
