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Merge pull request #556 from openforcefield/openmm-combine-forces
Combine non-bonded forces by default
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docs/releasehistory.md

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@@ -11,9 +11,13 @@ Please note that all releases prior to a version 1.0.0 are considered pre-releas
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## 0.2.3 - Current development
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### Behavior changes
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* #554 `Interchange.to_openmm` now uses `combine_nonbonded_forces=True` by default.
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### Bugfixes
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* #545 List the central atom first in CVFF style dihedrals in LAMMPS export
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## 0.2.2 - 2022-10-12
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This pre-release of Interchange includes improvements in metadata in the Amber export.

openff/interchange/components/interchange.py

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@@ -516,7 +516,7 @@ def to_lammps(self, file_path: Union[Path, str], writer="internal"):
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else:
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raise UnsupportedExportError
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def to_openmm(self, combine_nonbonded_forces: bool = False):
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def to_openmm(self, combine_nonbonded_forces: bool = True):
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"""Export this Interchange to an OpenMM System."""
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from openff.interchange.interop.openmm import to_openmm as to_openmm_
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