Comments (1)
I agree, I should check if the folder exists before trying to create it, I will add that. However it seems that you are running the extract coordinates unnecessarily, unless you are changing the coordinates for the clustering, we should take a look at that.
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Related Issues (14)
- Requirement from PELE HOT 3
- TypeError: float argument required, not numpy.ndarray HOT 7
- IndexError: too many indices for array HOT 4
- Templetize report name HOT 1
- Restart MD from checkpoints does not take into account modified constraints HOT 1
- Future module missing when pip install with python2.7 HOT 1
- When the residue name is incorrectly specified the exception catch is no clear HOT 1
- Documentation on values and clustering condition difficult to understand HOT 1
- Clustering is done with spawning:independent and breaks if binding energy is not calculated HOT 4
- Equilibration error due to None in similarity column HOT 1
- Variable box radius for equilibration HOT 3
- Wrong box center in equilibration HOT 3
- Atom names containing ' cannot be used
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