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Amber_inputs.ipynb issue during equilibration #124

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hajnal-adam opened this issue Nov 7, 2024 · 0 comments

hajnal-adam commented Nov 7, 2024 •

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Hi!
During the "Reading topology and structure file..." phase the following error occurs:

ImportError Traceback (most recent call last)
/usr/local/lib/python3.10/site-packages/openmm/app/internal/amber_file_parser.py in init(self, filename, asNumpy)
1376 try:
-> 1377 from scipy.io.netcdf import NetCDFFile
1378 except ImportError:

ImportError: cannot import name 'NetCDFFile' from 'scipy.io.netcdf' (/usr/local/lib/python3.10/site-packages/scipy/io/netcdf.py)

Could you please have a look? Thanks in advance!

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