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Dear Gromacs users;
I installed a tool to perform clustering using PCA projections.
When I run the software using the projection of 8 PC from a dihedral PCA it seems to run well but at the end it shows me the following error at the end:
"Program: gmx_clusterByFeatures cluster, version 2016.5
Standard library runtime error (possible bug):
(exception type: N8pybind1117error_already_setE)
UnboundLocalError: local variable ‘plt’ referenced before assignment
Does anyone knows how could I fix this?
Note: for the dPCA I used in the option -s the resized.gro dummy file and for the -f option I used the dangle.trr trajectory file with the cos and sin of each dihedral per frame.
Thank you in advance