LICENSE
README.md
pyproject.toml
martini_taster.egg-info/PKG-INFO
martini_taster.egg-info/SOURCES.txt
martini_taster.egg-info/dependency_links.txt
martini_taster.egg-info/entry_points.txt
martini_taster.egg-info/requires.txt
martini_taster.egg-info/top_level.txt
taster/__init__.py
taster/analysis.py
taster/cli.py
taster/prepare.py
taster/run.py
taster/utils.py
taster/workflow.py
taster/data/itps/martini_v3.0.0.itp
taster/data/itps/martini_v3.0.0_ions_v1.itp
taster/data/itps/martini_v3.0.0_solvents_v1.itp
taster/data/mdps/min.mdp
taster/data/mdps/template-CG_fep-vdw.mdp
taster/data/mdps/template-CG_minimization-fep.mdp
taster/data/mdps/template-CG_relaxation-fep.mdp
taster/data/solvents/chloroform.gro
taster/data/solvents/hexadecane.gro
taster/data/solvents/octanol-water_74-26.gro
taster/data/solvents/water.gro
tests/test_analysis.py
tests/test_cli.py
tests/test_prepare.py
tests/test_run.py
tests/test_utils.py
tests/test_workflow.py