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2 parents 2f0c068 + 3aa0cba commit 59cb582Copy full SHA for 59cb582
1 file changed
src/somd2/_utils/_somd1.py
@@ -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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+
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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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