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Include MDsim.ipynb and Colab link

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Eric 2026-03-19 19:35:00 -04:00
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@ -78,5 +78,7 @@ The notebook walks through creating a simulation, running it, and analyzing the
- `CHEG231MD.py` — the molecular dynamics simulation code - `CHEG231MD.py` — the molecular dynamics simulation code
- `MDsim.ipynb` — Jupyter notebook for running and analyzing simulations - `MDsim.ipynb` — Jupyter notebook for running and analyzing simulations
- `MDvis.ipynb` - Jupyter notebook for visualizaing simulations with *py3Dmol* - [![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/emfurst/SimpleMD/blob/main/MDvis.ipynb
)
- `maxwell boltzmann/` — Jupyter notebook for calculating the Maxwell-Boltzmann distribution; students can compare simulation results with the distribution - `maxwell boltzmann/` — Jupyter notebook for calculating the Maxwell-Boltzmann distribution; students can compare simulation results with the distribution
- `SimpleMD_manual.pdf` — the manual, *Really Simple Molecular Dynamics with Python* - `SimpleMD_manual.pdf` — the manual, *Really Simple Molecular Dynamics with Python*