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multipledihedrals for impropers #387

Merged
merged 4 commits into from
Feb 27, 2024
Merged

multipledihedrals for impropers #387

merged 4 commits into from
Feb 27, 2024

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ehhartmann
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due to how grappa works, impropers should be multipledihedrals. This should not affect regular amber99sb runs.

@ehhartmann
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======== 2 failed, 96 passed, 2 warnings in 272.69s (0:04:32) ====

Ready for review

@jmbuhr
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jmbuhr commented Feb 27, 2024

oh, might have to update something in the commit action after rendering the docs:

 error: Your local changes to the following files would be overwritten by checkout:
	docs/_reference/kmc.html
	docs/_reference/topology.atomic.html
	docs/guide/explanation/index.html
	docs/guide/how-to/index.html
	docs/guide/tutorials/getting-started.html
	docs/guide/tutorials/index.html
	docs/search.json
	docs/sitemap.xml

@ehhartmann ehhartmann merged commit e6b0c35 into main Feb 27, 2024
3 of 4 checks passed
@ehhartmann ehhartmann deleted the feat/multiple_improper branch February 27, 2024 12:15
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3 participants