LICENSE
MANIFEST.in
README.md
setup.cfg
setup.py
versioneer.py
openmmforcefields/__init__.py
openmmforcefields/_version.py
openmmforcefields/utils.py
openmmforcefields.egg-info/PKG-INFO
openmmforcefields.egg-info/SOURCES.txt
openmmforcefields.egg-info/dependency_links.txt
openmmforcefields.egg-info/entry_points.txt
openmmforcefields.egg-info/not-zip-safe
openmmforcefields.egg-info/top_level.txt
openmmforcefields/data/minidrugbank/Filter unspecified stereochemistry.ipynb
openmmforcefields/data/minidrugbank/MiniDrugBank-without-unspecified-stereochemistry.sdf
openmmforcefields/data/minidrugbank/MiniDrugBank.sdf
openmmforcefields/data/minidrugbank/README.md
openmmforcefields/data/perses_jacs_systems/README.md
openmmforcefields/data/perses_jacs_systems/run_pdbfixer.sh
openmmforcefields/data/perses_jacs_systems/jnk1/Jnk1_ligands.sdf
openmmforcefields/data/perses_jacs_systems/jnk1/Jnk1_protein.pdb
openmmforcefields/data/perses_jacs_systems/mcl1/MCL1_ligands.sdf
openmmforcefields/data/perses_jacs_systems/mcl1/MCL1_protein.pdb
openmmforcefields/data/perses_jacs_systems/ptp1b/PTP1B_ligands.sdf
openmmforcefields/data/perses_jacs_systems/ptp1b/PTP1B_protein.pdb
openmmforcefields/data/perses_jacs_systems/tests/test_outputs.py
openmmforcefields/data/perses_jacs_systems/tests/test_pdbfixer_jacs.sh
openmmforcefields/data/perses_jacs_systems/thrombin/Thrombin_ligands.sdf
openmmforcefields/data/perses_jacs_systems/thrombin/Thrombin_protein.pdb
openmmforcefields/ffxml/amber/DNA.OL15.xml
openmmforcefields/ffxml/amber/DNA.bsc0.xml
openmmforcefields/ffxml/amber/DNA.bsc1.xml
openmmforcefields/ffxml/amber/RNA.OL3.xml
openmmforcefields/ffxml/amber/RNA.ROC.xml
openmmforcefields/ffxml/amber/RNA.YIL.xml
openmmforcefields/ffxml/amber/ff03.xml
openmmforcefields/ffxml/amber/ff10.xml
openmmforcefields/ffxml/amber/ff14SB.redq.xml
openmmforcefields/ffxml/amber/ff14SB.xml
openmmforcefields/ffxml/amber/ff94.xml
openmmforcefields/ffxml/amber/ff96.xml
openmmforcefields/ffxml/amber/ff98.xml
openmmforcefields/ffxml/amber/ff99.xml
openmmforcefields/ffxml/amber/ff99SB.xml
openmmforcefields/ffxml/amber/ff99SBildn.xml
openmmforcefields/ffxml/amber/ff99SBnmr.xml
openmmforcefields/ffxml/amber/ff99bsc0.xml
openmmforcefields/ffxml/amber/ffAM1.xml
openmmforcefields/ffxml/amber/ffPM3.xml
openmmforcefields/ffxml/amber/lipid17.xml
openmmforcefields/ffxml/amber/lipid17_merged.xml
openmmforcefields/ffxml/amber/phosaa10.xml
openmmforcefields/ffxml/amber/protein.fb15.xml
openmmforcefields/ffxml/amber/protein.ff03.r1.xml
openmmforcefields/ffxml/amber/protein.ff03ua.xml
openmmforcefields/ffxml/amber/protein.ff14SB.xml
openmmforcefields/ffxml/amber/protein.ff14SBonlysc.xml
openmmforcefields/ffxml/amber/protein.ff15ipq-vac.xml
openmmforcefields/ffxml/amber/protein.ff15ipq.xml
openmmforcefields/ffxml/amber/spce_HFE_multivalent.xml
openmmforcefields/ffxml/amber/spce_IOD_multivalent.xml
openmmforcefields/ffxml/amber/spce_standard.xml
openmmforcefields/ffxml/amber/tip3p_HFE_multivalent.xml
openmmforcefields/ffxml/amber/tip3p_IOD_multivalent.xml
openmmforcefields/ffxml/amber/tip3p_standard.xml
openmmforcefields/ffxml/amber/tip3pfb_HFE_multivalent.xml
openmmforcefields/ffxml/amber/tip3pfb_IOD_multivalent.xml
openmmforcefields/ffxml/amber/tip3pfb_standard.xml
openmmforcefields/ffxml/amber/tip4pew_HFE_multivalent.xml
openmmforcefields/ffxml/amber/tip4pew_IOD_multivalent.xml
openmmforcefields/ffxml/amber/tip4pew_standard.xml
openmmforcefields/ffxml/amber/tip4pfb_HFE_multivalent.xml
openmmforcefields/ffxml/amber/tip4pfb_IOD_multivalent.xml
openmmforcefields/ffxml/amber/tip4pfb_standard.xml
openmmforcefields/ffxml/amber/gaff/dat/gaff-1.4.dat
openmmforcefields/ffxml/amber/gaff/dat/gaff-1.7.dat
openmmforcefields/ffxml/amber/gaff/dat/gaff-1.8.dat
openmmforcefields/ffxml/amber/gaff/dat/gaff-1.81.dat
openmmforcefields/ffxml/amber/gaff/dat/gaff-2.1.dat
openmmforcefields/ffxml/amber/gaff/dat/gaff-2.11.dat
openmmforcefields/ffxml/amber/gaff/ffxml/gaff-1.4.xml
openmmforcefields/ffxml/amber/gaff/ffxml/gaff-1.7.xml
openmmforcefields/ffxml/amber/gaff/ffxml/gaff-1.8.xml
openmmforcefields/ffxml/amber/gaff/ffxml/gaff-1.81.xml
openmmforcefields/ffxml/amber/gaff/ffxml/gaff-2.1.xml
openmmforcefields/ffxml/amber/gaff/ffxml/gaff-2.11.xml
openmmforcefields/ffxml/charmm/charmm36.xml
openmmforcefields/ffxml/charmm/charmm36_nowaters.xml
openmmforcefields/ffxml/charmm/toppar_all36_carb_model.xml
openmmforcefields/ffxml/charmm/toppar_all36_lipid_model.xml
openmmforcefields/ffxml/charmm/toppar_all36_na_model.xml
openmmforcefields/ffxml/charmm/toppar_all36_prot_model.xml
openmmforcefields/ffxml/charmm/waters_ions_default.xml
openmmforcefields/ffxml/charmm/waters_ions_spc.xml
openmmforcefields/ffxml/charmm/waters_ions_spc_e.xml
openmmforcefields/ffxml/charmm/waters_ions_tip3p_pme_b.xml
openmmforcefields/ffxml/charmm/waters_ions_tip3p_pme_f.xml
openmmforcefields/ffxml/charmm/waters_ions_tip4p.xml
openmmforcefields/ffxml/charmm/waters_ions_tip4p_2005.xml
openmmforcefields/ffxml/charmm/waters_ions_tip4p_ew.xml
openmmforcefields/ffxml/charmm/waters_ions_tip5p.xml
openmmforcefields/ffxml/charmm/waters_ions_tip5p_ew.xml
openmmforcefields/generators/__init__.py
openmmforcefields/generators/system_generators.py
openmmforcefields/generators/template_generators.py
openmmforcefields/tests/test_amber_import.py
openmmforcefields/tests/test_system_generator.py
openmmforcefields/tests/test_template_generators.py