Project: 6500 (Run 18, Clone 150, Gen 5)

[djohnston]

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.

[bruce]

Gromacs has encountered an unusual condition. The researchers who understand the math behind Gromacs will understand the message -- The typical FAH donor doesn't need to.

It's highly unlikely that you can do anything about it. The researcher may need to adjust a parameter or Gromacs may need to improve their code or maybe it just a statistically improbable condition that ultimately will be ignored.

Don't forget that the motions of the atoms are somewhat random at realistic temperatures so the scientific information about the folding process contains both more probable and less probable trajectories.

[PantherX]

According to the WU database, you have completed it successfully:

Hi djohnston (team 50619),
Your WU (P6500 R18 C150 G5) was added to the stats database on 2011-02-08 23:05:34 for 58 points of credit.