LICENSE
MANIFEST.in
README.md
pyproject.toml
setup.cfg
./CHAMP/Analysis.py
./CHAMP/MDsimulation.py
./CHAMP/__init__.py
./CHAMP/align_aa2cg.py
./CHAMP/file_copying.py
./CHAMP/main.py
./CHAMP/membrane_quality_check.py
./CHAMP/merge_data.py
./CHAMP/rank_pockets.py
./CHAMP/run_command_with_retries.py
./CHAMP/run_inputs_script.py
./CHAMP/system_build.py
./CHAMP/tools_cli.py
./CHAMP/automatic_benchmark_test/autobenchmark.py
./CHAMP/inputs/__init__.py
./CHAMP/inputs/insane.py
./CHAMP/inputs/mdp_files/em.mdp
./CHAMP/inputs/mdp_files/npt_const.mdp
./CHAMP/inputs/mdp_files/npt_noconst_1fs.mdp
./CHAMP/inputs/mdp_files/npt_noconst_20fs.mdp
./CHAMP/inputs/mdp_files/npt_prod.mdp
./CHAMP/inputs/mdp_files/nvt.mdp
./CHAMP/inputs/toppar/martini_v3.0.0.itp
./CHAMP/inputs/toppar/martini_v3.0.0_ions_v1.itp
./CHAMP/inputs/toppar/martini_v3.0.0_phospholipids_v1.itp
./CHAMP/inputs/toppar/martini_v3.0.0_solvents_v1.itp
./CHAMP/inputs/toppar/martini_v3.0_sterols_v1.0.itp
./CHAMP/tools/__init__.py
./CHAMP/tools/generate_prm.py
./CHAMP/tools/orient_protein.py
CHAMP/Analysis.py
CHAMP/MDsimulation.py
CHAMP/__init__.py
CHAMP/align_aa2cg.py
CHAMP/file_copying.py
CHAMP/main.py
CHAMP/membrane_quality_check.py
CHAMP/merge_data.py
CHAMP/rank_pockets.py
CHAMP/run_command_with_retries.py
CHAMP/run_inputs_script.py
CHAMP/system_build.py
CHAMP/tools_cli.py
CHAMP/automatic_benchmark_test/autobenchmark.py
CHAMP/inputs/__init__.py
CHAMP/inputs/insane.py
CHAMP/inputs/mdp_files/em.mdp
CHAMP/inputs/mdp_files/npt_const.mdp
CHAMP/inputs/mdp_files/npt_noconst_1fs.mdp
CHAMP/inputs/mdp_files/npt_noconst_20fs.mdp
CHAMP/inputs/mdp_files/npt_prod.mdp
CHAMP/inputs/mdp_files/nvt.mdp
CHAMP/inputs/toppar/martini_v3.0.0.itp
CHAMP/inputs/toppar/martini_v3.0.0_ions_v1.itp
CHAMP/inputs/toppar/martini_v3.0.0_phospholipids_v1.itp
CHAMP/inputs/toppar/martini_v3.0.0_solvents_v1.itp
CHAMP/inputs/toppar/martini_v3.0_sterols_v1.0.itp
CHAMP/tools/__init__.py
CHAMP/tools/generate_prm.py
CHAMP/tools/orient_protein.py
CHAMP_tool.egg-info/PKG-INFO
CHAMP_tool.egg-info/SOURCES.txt
CHAMP_tool.egg-info/dependency_links.txt
CHAMP_tool.egg-info/entry_points.txt
CHAMP_tool.egg-info/requires.txt
CHAMP_tool.egg-info/top_level.txt
tests/test_align_aa2cg.py
tests/test_copy.py
tests/test_main.py