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VisibleDeprecationWarning

Open mlhossen opened this issue 4 years ago • 0 comments

Hi, I am using auto_martini dev branch and after hitting following command:

"python -m auto_martini --smi "N1=C(N)NN=C1N" --mol GUA --top GUA.itp""

I got following error:

"/usr/local/lib/python3.9/site-packages/auto_martini-0.0.2-py3.9-macosx-10.14-x86_64.egg/auto_martini/solver.py:112: VisibleDeprecationWarning: Creating an ndarray from ragged nested sequences (which is a list-or-tuple of lists-or-tuples-or ndarrays with different lengths or shapes) is deprecated. If you meant to do this, you must specify 'dtype=object' when creating the ndarray list_cg_beads, list_bead_pos = optimization.find_bead_pos(molecule, conf, list_heavy_atoms, heavy_atom_coords, ring_atoms,"

And no GUA.itp file was created in my current directory. What could be the possible solution to this warning?

mlhossen avatar Dec 13 '20 03:12 mlhossen