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Optimization Geometry does not work #949

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Jeong1647 opened this issue Dec 5, 2020 · 0 comments
Open

Optimization Geometry does not work #949

Jeong1647 opened this issue Dec 5, 2020 · 0 comments

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@Jeong1647
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I sketched Aspirin Copper molecule, which is a copper complex with two aspirin ligands, into Marvin Sketch. I then converted to sketch into pbd and uploaded into Avogadro. Then, I manually attached the hydrogens manually to the molecule because Avogadro did not include them. I selected all the parts and deselected hydrogens and the the bonds connecting the hydrogens. After that, I went to 'Extension', to 'Fix Selected Atoms'. I then set my force field to Ghemical and began geometry optimization. However, it does not work. I tried UFF as well but no outcome. Any suggestion to fix this issue?
Screenshot 2020-12-05 221036

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