Metadata-Version: 2.1
Name: openxps
Version: 0.0.0
Summary: Useful Collective Variables for OpenMM
Author-email: Charlles Abreu <craabreu@gmail.com>
License: MIT
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python :: 3
Requires-Python: >=3.8
Description-Content-Type: text/markdown
License-File: LICENSE.md
Requires-Dist: numpy
Requires-Dist: openmm
Requires-Dist: pyyaml
Requires-Dist: xmltodict
Provides-Extra: test
Requires-Dist: pytest >=6.1.2 ; extra == 'test'
Requires-Dist: pytest-runner ; extra == 'test'

Extended Phase-Space Simulations with OpenMM
============================================

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### Overview


### Installation and Usage

OpenXPS is available as a conda package on the [mdtools] channel. To install it, run:

```bash
    conda install -c conda-forge -c mdtools openxps
```

Or:

```bash
    mamba install -c mdtools openxps
```

To use OpenXPS in your own Python script or Jupyter notebook, simply import it as follows:

```python
    import openxps
```

### Documentation

Documentation for the latest OpenXPS version is available at [Github Pages].

### Copyright

Copyright (c) 2024 [C. Abreu](https://github.com/craabreu)


[Github Pages]: https://craabreu.github.io/openxps/latest
[mdtools]: https://anaconda.org/mdtools/openxps
