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Add GAFF-based example back
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devtools/conda-envs/examples_env.yml

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@@ -18,10 +18,10 @@ dependencies:
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- openff-nagl
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# - openff-fragmenter
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# - openff-qcsubmit
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- openmmforcefields=0.12|>=0.14 # https://github.com/openmm/openmmforcefields/pull/329
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- openmmforcefields =0.14
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- gromacs >=2021=nompi*
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- lammps
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- rich
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- jax
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- parmed<4
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- nglview>=3.0.6,<3.1.0
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- parmed <4
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- nglview ~=3.0.6

source/_ext/cookbook/globals_.py

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@@ -91,10 +91,8 @@
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be rendered if they're in a cache.
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"""
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OPTIONAL_NOTEBOOKS: list[str] = [
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# ".*/experimental/.*",
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"openforcefield/openff-interchange/experimental/openmmforcefields/gaff.ipynb",
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]
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# ".*/experimental/.*",
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OPTIONAL_NOTEBOOKS: list[str] = list()
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"""
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Notebooks whose execution failure will not cause notebook processing to fail.
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