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Update releasehistory.rst
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martimunicoy committed Sep 2, 2020
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Expand Up @@ -24,12 +24,12 @@ Bugfixes
""""""""
- `PR #22 <https://github.com/martimunicoy/offpele/pull/22>`_: Fixes many bugs. For example, the default output name of the solvent parameters template is changed to `ligandParams.txt`, which is the name that PELE expects.
- `PR #32 <https://github.com/martimunicoy/offpele/pull/32>`_: Minor fixes in ToolkitWrapper classes.
- `PR #34 https://github.com/martimunicoy/offpele/pull/34:`_ Improves the translation of dihedrals coming from the Open Force Fielf Toolkit and corrects the lack of exclusions in PELE 1-4 list that result from Impact's dihedral definitions.
- `PR #34 <https://github.com/martimunicoy/offpele/pull/34:>`_: Improves the translation of dihedrals coming from the Open Force Fielf Toolkit and corrects the lack of exclusions in PELE 1-4 list that result from Impact's dihedral definitions.

Tests added
"""""""""""
- `PR #31 <https://github.com/martimunicoy/offpele/pull/31>`_: Adds tests to validate some functions of the new SchrodingerToolkitWrapper.
- `PR #34 https://github.com/martimunicoy/offpele/pull/34: Adds tests to further validate the assignment of parameters from the Open Force Field Toolkit.
- `PR #34 <https://github.com/martimunicoy/offpele/pull/34>`_: Adds tests to further validate the assignment of parameters from the Open Force Field Toolkit.
- `PR #37 <https://github.com/martimunicoy/offpele/issues/37>`_: Adds tests to validate the new OPLS charge calculator.


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