rmcgibbo / openmm-cmd

OpenMM Command Line Application
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[WIP] Py3 Compatibility #31

Closed rmcgibbo closed 3 years ago

rmcgibbo commented 10 years ago

This is still a weird string/unicode error I think, where it's saying that something is None when it's not. I'll look at this tomorrow.

$ openmm --coords input.pdb --protein amber99sb --water tip3p | tee openmm.out
[OpenMM] ERROR | The 'protein' trait of the general section instance must be any of ['amber96', 'amber99sb', 'amber99sb-ildn', 'amber99sb-nmr', 'amber03', 'amber10', 'amoeba2009'] or None, but a value of 'None' <type 'str'> was specified.

To see all available configurables, use `--help-all`
rmcgibbo commented 10 years ago

28