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antechamber
I don't have the time to fix this now, but it stands out and should be noted. This error message is misleading/wrong:
openff-toolkit/openff/toolkit/utils/ambertools_wrapper.py
Lines 194 to 199 in 1feb83d
as there is no charge_mol in the toolkit. A minimal fix would be updating the error message, a nicer one would mock the executable as missing.
charge_mol
The text was updated successfully, but these errors were encountered:
Thanks, happy to take a PR for this. I think just updating the message is sufficient.
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Antechamber
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I don't have the time to fix this now, but it stands out and should be noted. This error message is misleading/wrong:
openff-toolkit/openff/toolkit/utils/ambertools_wrapper.py
Lines 194 to 199 in 1feb83d
as there is no
charge_mol
in the toolkit. A minimal fix would be updating the error message, a nicer one would mock the executable as missing.The text was updated successfully, but these errors were encountered: