Add OpenMM documentation and example scripts (!4) · Merge requests · Martin Bari-Garnier / Lipiderz · GitLab

Martin Bari-Garnier requested to merge martin into main Feb 19, 2026

resources/OpenMM.md: Add installation and usage guide for OpenMM.
resources/README.md: Update best practices with uv venv recommendation.
scripts/min_in-vacuo.py: Add example script for simple in-vacuo minimization.
scripts/model-min_in-vacuo.py: Add example script for model-based minimization.