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smirnoff spec links to 0.5.0 docs, "files added"
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j-wags authored Aug 16, 2019
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8 changes: 4 additions & 4 deletions docs/releasehistory.rst
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Expand Up @@ -12,7 +12,7 @@ Releases follow the ``major.minor.micro`` scheme recommended by `PEP440 <https:/
-----------------------------------------------------

This release adds support for the
`GBSA tag in the SMIRNOFF specification <https://open-forcefield-toolkit.readthedocs.io/en/latest/smirnoff.html#gbsa>`_.
`GBSA tag in the SMIRNOFF specification <https://open-forcefield-toolkit.readthedocs.io/en/0.5.0/smirnoff.html#gbsa>`_.
Currently, the ``HCT``, ``OBC1``, and ``OBC2`` models (corresponding to AMBER keywords
``igb=1``, ``2``, and ``5``, respectively) are supported, with the ``OBC2`` implementation being
the most flexible. Unfortunately, systems produced
Expand All @@ -34,7 +34,7 @@ New features
- `PR #363 <https://github.com/openforcefield/openforcefield/pull/363>`_: Implements
:py:class:`GBSAHandler <openforcefield.typing.engines.smirnoff.parameters.GBSAHandler>`,
which supports the
`GBSA tag in the SMIRNOFF specification <https://open-forcefield-toolkit.readthedocs.io/en/latest/smirnoff.html#gbsa>`_.
`GBSA tag in the SMIRNOFF specification <https://open-forcefield-toolkit.readthedocs.io/en/0.5.0/smirnoff.html#gbsa>`_.
Currently, only GBSAHandlers with ``gb_model="OBC2"`` support
setting non-default values for the ``surface_area_penalty`` term (default ``5.4*calories/mole/angstroms**2``),
though users can zero the SA term for ``OBC1`` and ``HCT`` models by setting ``sa_model="None"``.
Expand Down Expand Up @@ -77,8 +77,8 @@ Bugfixes



Force fields added
""""""""""""""""""
Files added
"""""""""""
- `PR #363 <https://github.com/openforcefield/openforcefield/pull/363>`_: Adds
``test_forcefields/GBSA_HCT-1.0.offxml``, ``test_forcefields/GBSA_OBC1-1.0.offxml``,
and ``test_forcefields/GBSA_OBC2-1.0.offxml``, which are experimental implementations
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