__pycache__/
*.py[cod]
*.egg-info/
dist/
build/
.eggs/
*.egg
.venv/
venv/
env/
*.pkl
*.pdb
*.xtc
*.nc
*.prmtop
*.pse
*.mp4
*.png
*.csv
!tests/data/
.ipynb_checkpoints/
.pytest_cache/
.coverage
htmlcov/
results/
figures/
hbond_results/
snapshots/
movie_out/
