Set atomic number when applying a patch#1275
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Is this ok to merge? |
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@swails any comments on this PR? |
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@swails can we please merge this? I'm still waiting on it. |
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Sorry - I hadn't merged it because the tests failed. I've updated the branch and will hopefully merge when that passes. |
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Thanks! |
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When applying a patch to a residue, the atomic number was not set correctly for the added atoms. The result was that bonds were not added correctly when writing an OpenMM force field, since it thought all the new atoms were virtual sites or drude particles. See openmm/openmm#3815.