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Commit 74c86e70 authored by Rafal P. Wiewiora's avatar Rafal P. Wiewiora
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fix test

parent 175b1123
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wrappers/python/tests/TestForceField.py
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...@@ -837,7 +837,7 @@ ATOM 60 OXT GLU A 4 26.692 14.850 11.569 1.00 0.00 O ...@@ -837,7 +837,7 @@ ATOM 60 OXT GLU A 4 26.692 14.850 11.569 1.00 0.00 O
</PeriodicTorsionForce> </PeriodicTorsionForce>
</ForceField> </ForceField>
""" """
pdb_ = PBDFile(StringIO(pdb)) pdb_ = PDBFile(StringIO(pdb))
# ff1 uses default ordering of impropers, ff2 uses "amber" for the one # ff1 uses default ordering of impropers, ff2 uses "amber" for the one
# problematic improper # problematic improper
ff1 = ForceField('amber99sbildn.xml') ff1 = ForceField('amber99sbildn.xml')
......
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