Project: 6500 (Run 18, Clone 150, Gen 5)
Posted: Wed Feb 09, 2011 12:58 am
Anyone know what this error means? It has happened twice during the run so far.
[00:40:46] Completed 95000 out of 250000 steps (38%)
Warning: Triclinic box is too skewed.
Box (3x3):
Box[ 0]={ 5.70338e+00, 0.00000e+00, 0.00000e+00}
Box[ 1]={ 0.00000e+00, 5.70338e+00, 0.00000e+00}
Box[ 2]={ 2.85234e+00, 2.85234e+00, 4.03643e+00}
Can not fix pbc.
[00:46:23] Writing local files
[00:46:23] Completed 97500 out of 250000 steps (39%)
The WU is titled Protein: TR538_19 in water.
[00:40:46] Completed 95000 out of 250000 steps (38%)
Warning: Triclinic box is too skewed.
Box (3x3):
Box[ 0]={ 5.70338e+00, 0.00000e+00, 0.00000e+00}
Box[ 1]={ 0.00000e+00, 5.70338e+00, 0.00000e+00}
Box[ 2]={ 2.85234e+00, 2.85234e+00, 4.03643e+00}
Can not fix pbc.
[00:46:23] Writing local files
[00:46:23] Completed 97500 out of 250000 steps (39%)
The WU is titled Protein: TR538_19 in water.