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radical-collaboration / extasy-grlsd

Repository to hold the input data and scripts for the ExTASY gromacs-lsdmap work
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error in run-tica-msm5.py #108

Closed euhruska closed 5 years ago

euhruska commented 5 years ago

size mismatch

Traceback (most recent call last):
  File "run-tica-msm5.py", line 866, in <module>
    Runticamsm().run()
  File "run-tica-msm5.py", line 817, in run
    fig, ax = plots.plot_free_energy(rmsd_arr, rg_arr, weights=dtraj_w_arr, cmap='Spectral', nbins=200)
  File "/mnt/b/projects/sciteam/bamm/hruska/vpy8/lib/python3.5/site-packages/pyemma/plots/plots2d.py", line 674, in plot_free_energy
    avoid_zero_count=avoid_zero_count)
  File "/mnt/b/projects/sciteam/bamm/hruska/vpy8/lib/python3.5/site-packages/pyemma/plots/plots2d.py", line 150, in get_histogram
    xall, yall, bins=nbins, weights=weights)
  File "/mnt/bwpy/single/usr/lib/python3.5/site-packages/numpy/lib/twodim_base.py", line 655, in histogram2d
    hist, edges = histogramdd([x, y], bins, range, normed, weights)
  File "/mnt/bwpy/single/usr/lib/python3.5/site-packages/numpy/lib/function_base.py", line 1014, in histogramdd
    flatcount = bincount(xy, weights)
ValueError: The weights and list don't have the same length.