Metadata-Version: 2.3
Name: EquilibraTor
Version: 0.1.2
Summary: EquilibraTor streamlines molecular dynamics and equilibration simulations for proteins and protein–ligand complexes.
License: MIT
Author: José D. D. Cediel-Becerra
Author-email: jcedielbecerra@ufl.edu
Requires-Python: >=3.12
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.12
Classifier: Programming Language :: Python :: 3.13
Requires-Dist: matplotlib
Requires-Dist: numpy
Description-Content-Type: text/markdown

## System Requirements

Before using EquilibraTor, make sure the following command-line tools are installed:

- **GROMACS** (2022 or newer): Must be accessible via `gmx` command
- **Open Babel** (3.1 or newer): Must be accessible via `obabel` command
- **ACPYPE**

You can test this with:

```bash
gmx --version
obabel -V

