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Merge pull request #103 from OpenBioSim/fix_102
Fix issue #102
2 parents 2f0c068 + 3aa0cba commit 59cb582

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src/somd2/_utils/_somd1.py

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@@ -660,6 +660,15 @@ def reconstruct_system(system):
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# Loop over all perturbable molecules.
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for mol in pert_mols:
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# Delete an AmberParams properties.
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try:
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cursor = mol.cursor()
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del cursor["parameters0"]
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del cursor["parameters1"]
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mol = cursor.commit()
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except:
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pass
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# Extract the end states.
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ref = _morph.extract_reference(mol)
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pert = _morph.extract_perturbed(mol)

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