MANIFEST.in
README.md
example.ipynb
pyproject.toml
src/__init__.py
src/repex_topology_parser.py
src/__pycache__/__init__.cpython-311.pyc
src/__pycache__/repex_topology_parser.cpython-311.pyc
src/__pycache__/rest_topology_parser.cpython-311.pyc
src/repex_topology_parser.egg-info/PKG-INFO
src/repex_topology_parser.egg-info/SOURCES.txt
src/repex_topology_parser.egg-info/dependency_links.txt
src/repex_topology_parser.egg-info/requires.txt
src/repex_topology_parser.egg-info/top_level.txt
src/testcode/check_dihedrals.ipynb
src/testcode/dihedral_parsing_numpy.ipynb
src/testcode/test_argparse.py
tests/test_cli/generate.sh
tests/test_cli/topol_rest2_apo_sys1-0.667.top
tests/test_cli/topol_rest2_apo_sys1-0.681.top
tests/test_cli/topol_rest2_apo_sys1-0.696.top
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tests/test_energies/lig_sys2_REST2_perl-lambda0.6.edr
tests/test_energies/lig_sys2_REST2_perl-lambda0.6.log
tests/test_energies/lig_sys2_REST2_perl-lambda0.6.tpr
tests/test_energies/lig_sys2_REST2_perl-lambda0.6.xvg
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tests/test_energies/lig_sys2_REST2_perl-lambda1.0.tpr
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tests/test_energies/lig_sys2_REST2_python-lambda1.0.edr
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tests/test_energies/lig_sys2_REST2_python-lambda1.0.tpr
tests/test_energies/lig_sys2_REST2_python-lambda1.0.xvg
tests/test_energies/lig_sys2_processed.edr
tests/test_energies/lig_sys2_processed.log
tests/test_energies/lig_sys2_processed.tpr
tests/test_energies/lig_sys2_processed.xvg
tests/test_energies/mdout.mdp
tests/test_energies/rename_energy_xvg.sh
tests/test_energies/rerun.mdp
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