@@ -12,7 +12,7 @@ Releases follow the ``major.minor.micro`` scheme recommended by `PEP440 <https:/
1212-----------------------------------------------------
1313
1414This release adds support for the
15- `GBSA tag in the SMIRNOFF specification <https://open-forcefield-toolkit.readthedocs.io/en/latest /smirnoff.html#gbsa >`_.
15+ `GBSA tag in the SMIRNOFF specification <https://open-forcefield-toolkit.readthedocs.io/en/0.5.0 /smirnoff.html#gbsa >`_.
1616Currently, the ``HCT ``, ``OBC1 ``, and ``OBC2 `` models (corresponding to AMBER keywords
1717``igb=1 ``, ``2 ``, and ``5 ``, respectively) are supported, with the ``OBC2 `` implementation being
1818the most flexible. Unfortunately, systems produced
@@ -34,7 +34,7 @@ New features
3434- `PR #363 <https://github.com/openforcefield/openforcefield/pull/363 >`_: Implements
3535 :py:class: `GBSAHandler <openforcefield.typing.engines.smirnoff.parameters.GBSAHandler> `,
3636 which supports the
37- `GBSA tag in the SMIRNOFF specification <https://open-forcefield-toolkit.readthedocs.io/en/latest /smirnoff.html#gbsa >`_.
37+ `GBSA tag in the SMIRNOFF specification <https://open-forcefield-toolkit.readthedocs.io/en/0.5.0 /smirnoff.html#gbsa >`_.
3838 Currently, only GBSAHandlers with ``gb_model="OBC2" `` support
3939 setting non-default values for the ``surface_area_penalty `` term (default ``5.4*calories/mole/angstroms**2 ``),
4040 though users can zero the SA term for ``OBC1 `` and ``HCT `` models by setting ``sa_model="None" ``.
@@ -77,8 +77,8 @@ Bugfixes
7777
7878
7979
80- Force fields added
81- """"""""""""""""""
80+ Files added
81+ """""""""""
8282- `PR #363 <https://github.com/openforcefield/openforcefield/pull/363 >`_: Adds
8383 ``test_forcefields/GBSA_HCT-1.0.offxml ``, ``test_forcefields/GBSA_OBC1-1.0.offxml ``,
8484 and ``test_forcefields/GBSA_OBC2-1.0.offxml ``, which are experimental implementations
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