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smirnoff spec links to 0.5.0 docs, "files added"
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docs/releasehistory.rst

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@@ -12,7 +12,7 @@ Releases follow the ``major.minor.micro`` scheme recommended by `PEP440 <https:/
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-----------------------------------------------------
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This release adds support for the
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`GBSA tag in the SMIRNOFF specification <https://open-forcefield-toolkit.readthedocs.io/en/latest/smirnoff.html#gbsa>`_.
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`GBSA tag in the SMIRNOFF specification <https://open-forcefield-toolkit.readthedocs.io/en/0.5.0/smirnoff.html#gbsa>`_.
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Currently, the ``HCT``, ``OBC1``, and ``OBC2`` models (corresponding to AMBER keywords
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``igb=1``, ``2``, and ``5``, respectively) are supported, with the ``OBC2`` implementation being
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the most flexible. Unfortunately, systems produced
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- `PR #363 <https://github.com/openforcefield/openforcefield/pull/363>`_: Implements
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:py:class:`GBSAHandler <openforcefield.typing.engines.smirnoff.parameters.GBSAHandler>`,
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which supports the
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`GBSA tag in the SMIRNOFF specification <https://open-forcefield-toolkit.readthedocs.io/en/latest/smirnoff.html#gbsa>`_.
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`GBSA tag in the SMIRNOFF specification <https://open-forcefield-toolkit.readthedocs.io/en/0.5.0/smirnoff.html#gbsa>`_.
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Currently, only GBSAHandlers with ``gb_model="OBC2"`` support
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setting non-default values for the ``surface_area_penalty`` term (default ``5.4*calories/mole/angstroms**2``),
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though users can zero the SA term for ``OBC1`` and ``HCT`` models by setting ``sa_model="None"``.
@@ -77,8 +77,8 @@ Bugfixes
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Force fields added
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""""""""""""""""""
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Files added
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"""""""""""
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- `PR #363 <https://github.com/openforcefield/openforcefield/pull/363>`_: Adds
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``test_forcefields/GBSA_HCT-1.0.offxml``, ``test_forcefields/GBSA_OBC1-1.0.offxml``,
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and ``test_forcefields/GBSA_OBC2-1.0.offxml``, which are experimental implementations

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