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separate water models
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‎README.md‎

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@@ -24,7 +24,7 @@ To cite the **Sage** line of force fields (`openff-2.Y.Z`) please use [this cita
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Optionally, consider also citing the version-specific Zenodo DOI for the particular force field from the table below.
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Details for each force field in this repository can be found on our [website](https://openforcefield.org/force-fields/force-fields/) or in the following table:
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Details for each OpenFF force field in this repository can be found on our [website](https://openforcefield.org/force-fields/force-fields/) or in the following table:
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| Filename | FF line | Release Date | Major format changes? | Fitting repo | DOI |
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|---------------------------------------------|---------|---------------|-----------------------|-------------------------------------------------------------------------------------------|-------------------------------------------------------------------------------------------------------------|
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| `openff_unconstrained-2.2.0-rc1.offxml` | Sage | Mar 6, 2024 | No | [repo](https://github.com/openforcefield/sage-2.2.0/releases/tag/v2.2.0-rc1) | |
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| `openff-2.1.1.offxml` | Sage | Jan 22, 2024 | No | None | [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.10553473.svg)](https://doi.org/10.5281/zenodo.10553473) |
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| `openff_unconstrained-2.1.1.offxml` | Sage | Jan 22, 2024 | No | None | [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.10553473.svg)](https://doi.org/10.5281/zenodo.10553473) |
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| `tip5p-1.0.0.offxml` | Ports | Nov 6, 2023 | No | None | see `docs/water-models.md` |
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| `spce-1.0.0.offxml` | Ports | Nov 6, 2023 | No | None | see `docs/water-models.md` |
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| `tip4p_ew-1.0.0.offxml` | Ports | Nov 6, 2023 | No | None | see `docs/water-models.md` |
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| `opc-1.0.2.offxml` | Ports | Aug 9, 2023 | No | None | see `docs/water-models.md` |
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| `opc3-1.0.1.offxml` | Ports | Aug 9, 2023 | No | None | see `docs/water-models.md` |
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| `tip3p_fb-1.1.1.offxml` | Ports | Aug 9, 2023 | No | None | see `docs/water-models.md` |
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| `tip3p-1.0.1.offxml` | Ports | Aug 9, 2023 | No | None | see `docs/water-models.md` |
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| `tip4p_fb-1.0.1.offxml` | Ports | Aug 9, 2023 | No | None | see `docs/water-models.md` |
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| `opc-1.0.1.offxml` | Ports | May 24, 2023 | No | None | see `docs/water-models.md` |
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| `opc3-1.0.0.offxml` | Ports | May 24, 2023 | No | None | see `docs/water-models.md` |
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| `tip3p_fb-1.1.0.offxml` | Ports | May 24, 2023 | No | None | see `docs/water-models.md` |
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| `tip4p_fb-1.0.0.offxml` | Ports | May 24, 2023 | No | None | see `docs/water-models.md` |
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| `openff-2.1.0.offxml` | Sage | May 2, 2023 | No | [repo](https://github.com/openforcefield/sage-2.1.0) | [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.7889050.svg)](https://doi.org/10.5281/zenodo.7889050) |
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| `openff_unconstrained-2.1.0.offxml` | Sage | May 2, 2023 | No | [repo](https://github.com/openforcefield/sage-2.1.0) | [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.7889050.svg)](https://doi.org/10.5281/zenodo.7889050) |
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| `opc-1.0.0.offxml` | Ports | May 1, 2023 | No | None | see `docs/water-models.md` |
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| `openff-2.1.0-rc.1.offxml` | Sage | Apr 10, 2023 | No | [repo](https://github.com/openforcefield/sage-2.1.0) | |
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| `openff_unconstrained-2.1.0-rc.1.offxml` | Sage | Apr 10, 2023 | No | [repo](https://github.com/openforcefield/sage-2.1.0) | |
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| `tip3p_fb-1.0.0.offxml` | Ports | Feb 27, 2023 | No | None | see `docs/water-models.md` |
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| `tip3p-1.0.0.offxml` | Ports | Feb 27, 2023 | No | None | see `docs/water-models.md` |
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| `openff-2.0.0.offxml` | Sage | Aug 16, 2021 | No | [repo](https://github.com/openforcefield/openff-sage/tree/2.0.0-rc.1) | [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.5214478.svg)](https://doi.org/10.5281/zenodo.5214478) |
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| `openff_unconstrained-2.0.0.offxml` | Sage | Aug 16, 2021 | No | [repo](https://github.com/openforcefield/openff-sage/tree/2.0.0-rc.1) | [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.5214478.svg)](https://doi.org/10.5281/zenodo.5214478) |
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| `openff-2.0.0-rc.2.offxml` | Sage | Aug 3, 2021 | No | None | [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.5156698.svg)](https://doi.org/10.5281/zenodo.5156698) |
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| `openff-1.0.0-RC1.offxml` | None | Oct 4, 2019 | N/A | None | None |
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| `openff_unconstrained-1.0.0-RC1.offxml` | None | Oct 4, 2019 | N/A | None | None |
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Details for various water models and other force fields ported to SMIRNOFF format can be found in the table below:
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| Filename | FF line | Release Date | Major format changes? | Fitting repo | DOI |
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|---------------------------------------------|---------|---------------|-----------------------|-------------------------------------------------------------------------------------------|-------------------------------------------------------------------------------------------------------------|
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| `tip5p-1.0.0.offxml` | Ports | Nov 6, 2023 | No | None | see `docs/water-models.md` |
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| `spce-1.0.0.offxml` | Ports | Nov 6, 2023 | No | None | see `docs/water-models.md` |
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| `tip4p_ew-1.0.0.offxml` | Ports | Nov 6, 2023 | No | None | see `docs/water-models.md` |
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| `opc-1.0.2.offxml` | Ports | Aug 9, 2023 | No | None | see `docs/water-models.md` |
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| `opc3-1.0.1.offxml` | Ports | Aug 9, 2023 | No | None | see `docs/water-models.md` |
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| `tip3p_fb-1.1.1.offxml` | Ports | Aug 9, 2023 | No | None | see `docs/water-models.md` |
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| `tip3p-1.0.1.offxml` | Ports | Aug 9, 2023 | No | None | see `docs/water-models.md` |
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| `tip4p_fb-1.0.1.offxml` | Ports | Aug 9, 2023 | No | None | see `docs/water-models.md` |
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| `opc-1.0.1.offxml` | Ports | May 24, 2023 | No | None | see `docs/water-models.md` |
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| `opc3-1.0.0.offxml` | Ports | May 24, 2023 | No | None | see `docs/water-models.md` |
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| `tip3p_fb-1.1.0.offxml` | Ports | May 24, 2023 | No | None | see `docs/water-models.md` |
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| `tip4p_fb-1.0.0.offxml` | Ports | May 24, 2023 | No | None | see `docs/water-models.md` |
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| `opc-1.0.0.offxml` | Ports | May 1, 2023 | No | None | see `docs/water-models.md` |
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| `tip3p_fb-1.0.0.offxml` | Ports | Feb 27, 2023 | No | None | see `docs/water-models.md` |
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| `tip3p-1.0.0.offxml` | Ports | Feb 27, 2023 | No | None | see `docs/water-models.md` |
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## Installation

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