AUTHORS.md
CHANGELOG.md
CODE_OF_CONDUCT.md
LICENSE
MANIFEST.in
README.md
pyproject.toml
md_qvalue.egg-info/PKG-INFO
md_qvalue.egg-info/SOURCES.txt
md_qvalue.egg-info/dependency_links.txt
md_qvalue.egg-info/requires.txt
md_qvalue.egg-info/top_level.txt
qvalue/__init__.py
qvalue/qvalue.py
qvalue/data/README.md
qvalue/data/__init__.py
qvalue/data/files.py
qvalue/data/mda.txt
qvalue/data/lammps/1R69/dump.lammpstrj
qvalue/data/lammps/1R69/qo
qvalue/data/lammps/1R69/qw
qvalue/data/lammps/p50p65/Structure_p50p65.pdb
qvalue/data/lammps/p50p65/dump.lammpstrj
qvalue/data/lammps/p50p65/q_interface_cb
qvalue/data/openmm/1R69/1r69.cif
qvalue/data/openmm/1R69/crystal_structure-openmmawsem.pdb
qvalue/data/openmm/1R69/info.dat
qvalue/data/openmm/1R69/movie.dcd
qvalue/data/openmm/1R69/native.pdb
qvalue/tests/__init__.py
qvalue/tests/conftest.py
qvalue/tests/test_qvalue.py
qvalue/tests/utils.py