From e0beed248adddd83e0f4049ad19bb66efa4af6d5 Mon Sep 17 00:00:00 2001 From: Eric Date: Thu, 19 Mar 2026 19:35:00 -0400 Subject: [PATCH] Include MDsim.ipynb and Colab link --- README.md | 2 ++ 1 file changed, 2 insertions(+) diff --git a/README.md b/README.md index 365f6c3..238cbff 100644 --- a/README.md +++ b/README.md @@ -78,5 +78,7 @@ The notebook walks through creating a simulation, running it, and analyzing the - `CHEG231MD.py` — the molecular dynamics simulation code - `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 - `SimpleMD_manual.pdf` — the manual, *Really Simple Molecular Dynamics with Python*