LICENSE
MANIFEST.in
README.md
pyproject.toml
bemm_gen/__init__.py
bemm_gen/convert.py
bemm_gen/make_param.py
bemm_gen/model.py
bemm_gen/protein.py
bemm_gen/utils.py
bemm_gen.egg-info/PKG-INFO
bemm_gen.egg-info/SOURCES.txt
bemm_gen.egg-info/dependency_links.txt
bemm_gen.egg-info/entry_points.txt
bemm_gen.egg-info/requires.txt
bemm_gen.egg-info/top_level.txt
bemm_gen/share/FF_PARAM/FF_AMO/AMO.frcmod
bemm_gen/share/FF_PARAM/FF_AMO/AMO.lib
bemm_gen/share/FF_PARAM/FF_AMO/AMO.mol2
bemm_gen/share/FF_PARAM/FF_AMO/AMO.pdb
bemm_gen/share/FF_PARAM/FF_AMO/AMO_orig.mol2
bemm_gen/share/FF_PARAM/FF_AMO/AMO_orig_round.mol2
bemm_gen/share/FF_PARAM/FF_AMO/AMO_partialChgs.mol2
bemm_gen/share/FF_PARAM/FF_AMO/AMO_psi4.mol2
bemm_gen/share/FF_PARAM/FF_AMO/description.txt
bemm_gen/share/FF_PARAM/FF_AMO/leap.in
bemm_gen/share/FF_PARAM/FF_AMO/smiles.png
bemm_gen/share/FF_PARAM/FF_AMO/smiles.txt
bemm_gen/share/FF_PARAM/FF_AMO/smiles_ETKDGv3.png
bemm_gen/share/FF_PARAM/FF_AMO/smiles_charges.png
bemm_gen/share/FF_PARAM/FF_ARM/ARM.frcmod
bemm_gen/share/FF_PARAM/FF_ARM/ARM.lib
bemm_gen/share/FF_PARAM/FF_ARM/ARM.mol2
bemm_gen/share/FF_PARAM/FF_ARM/ARM.pdb
bemm_gen/share/FF_PARAM/FF_ARM/ARM_orig.mol2
bemm_gen/share/FF_PARAM/FF_ARM/ARM_orig_round.mol2
bemm_gen/share/FF_PARAM/FF_ARM/ARM_partialChgs.mol2
bemm_gen/share/FF_PARAM/FF_ARM/ARM_psi4.mol2
bemm_gen/share/FF_PARAM/FF_ARM/description.txt
bemm_gen/share/FF_PARAM/FF_ARM/leap.in
bemm_gen/share/FF_PARAM/FF_ARM/smiles.png
bemm_gen/share/FF_PARAM/FF_ARM/smiles.txt
bemm_gen/share/FF_PARAM/FF_ARM/smiles_ETKDGv3.png
bemm_gen/share/FF_PARAM/FF_ARM/smiles_charges.png
bemm_gen/share/FF_PARAM/FF_ARO/ARO.frcmod
bemm_gen/share/FF_PARAM/FF_ARO/ARO.lib
bemm_gen/share/FF_PARAM/FF_ARO/ARO.mol2
bemm_gen/share/FF_PARAM/FF_ARO/ARO.pdb
bemm_gen/share/FF_PARAM/FF_ARO/ARO_orig.mol2
bemm_gen/share/FF_PARAM/FF_ARO/ARO_orig_round.mol2
bemm_gen/share/FF_PARAM/FF_ARO/ARO_partialChgs.mol2
bemm_gen/share/FF_PARAM/FF_ARO/ARO_psi4.mol2
bemm_gen/share/FF_PARAM/FF_ARO/description.txt
bemm_gen/share/FF_PARAM/FF_ARO/leap.in
bemm_gen/share/FF_PARAM/FF_ARO/smiles.png
bemm_gen/share/FF_PARAM/FF_ARO/smiles.txt
bemm_gen/share/FF_PARAM/FF_ARO/smiles_ETKDGv3.png
bemm_gen/share/FF_PARAM/FF_ARO/smiles_charges.png
bemm_gen/share/FF_PARAM/FF_BLA/BLA.frcmod
bemm_gen/share/FF_PARAM/FF_BLA/BLA.lib
bemm_gen/share/FF_PARAM/FF_BLA/BLA.mol2
bemm_gen/share/FF_PARAM/FF_BLA/BLA.pdb
bemm_gen/share/FF_PARAM/FF_BLA/BLA_orig.mol2
bemm_gen/share/FF_PARAM/FF_BLA/BLA_orig_round.mol2
bemm_gen/share/FF_PARAM/FF_BLA/BLA_partialChgs.mol2
bemm_gen/share/FF_PARAM/FF_BLA/BLA_psi4.mol2
bemm_gen/share/FF_PARAM/FF_BLA/description.txt
bemm_gen/share/FF_PARAM/FF_BLA/leap.in
bemm_gen/share/FF_PARAM/FF_BLA/smiles.png
bemm_gen/share/FF_PARAM/FF_BLA/smiles.txt
bemm_gen/share/FF_PARAM/FF_BLA/smiles_ETKDGv3.png
bemm_gen/share/FF_PARAM/FF_BLA/smiles_charges.png
bemm_gen/share/FF_PARAM/FF_CBO/CBO.frcmod
bemm_gen/share/FF_PARAM/FF_CBO/CBO.lib
bemm_gen/share/FF_PARAM/FF_CBO/CBO.mol2
bemm_gen/share/FF_PARAM/FF_CBO/CBO.pdb
bemm_gen/share/FF_PARAM/FF_CBO/CBO_orig.mol2
bemm_gen/share/FF_PARAM/FF_CBO/CBO_orig_round.mol2
bemm_gen/share/FF_PARAM/FF_CBO/CBO_partialChgs.mol2
bemm_gen/share/FF_PARAM/FF_CBO/CBO_psi4.mol2
bemm_gen/share/FF_PARAM/FF_CBO/description.txt
bemm_gen/share/FF_PARAM/FF_CBO/leap.in
bemm_gen/share/FF_PARAM/FF_CBO/smiles.png
bemm_gen/share/FF_PARAM/FF_CBO/smiles.txt
bemm_gen/share/FF_PARAM/FF_CBO/smiles_ETKDGv3.png
bemm_gen/share/FF_PARAM/FF_CBO/smiles_charges.png
bemm_gen/share/FF_PARAM/FF_CBX/CBX.frcmod
bemm_gen/share/FF_PARAM/FF_CBX/CBX.lib
bemm_gen/share/FF_PARAM/FF_CBX/CBX.mol2
bemm_gen/share/FF_PARAM/FF_CBX/CBX.pdb
bemm_gen/share/FF_PARAM/FF_CBX/CBX_orig.mol2
bemm_gen/share/FF_PARAM/FF_CBX/CBX_orig_round.mol2
bemm_gen/share/FF_PARAM/FF_CBX/CBX_partialChgs.mol2
bemm_gen/share/FF_PARAM/FF_CBX/CBX_psi4.mol2
bemm_gen/share/FF_PARAM/FF_CBX/description.txt
bemm_gen/share/FF_PARAM/FF_CBX/leap.in
bemm_gen/share/FF_PARAM/FF_CBX/smiles.png
bemm_gen/share/FF_PARAM/FF_CBX/smiles.txt
bemm_gen/share/FF_PARAM/FF_CBX/smiles_ETKDGv3.png
bemm_gen/share/FF_PARAM/FF_CBX/smiles_charges.png
bemm_gen/share/FF_PARAM/FF_ETY/ETY.frcmod
bemm_gen/share/FF_PARAM/FF_ETY/ETY.lib
bemm_gen/share/FF_PARAM/FF_ETY/ETY.mol2
bemm_gen/share/FF_PARAM/FF_ETY/ETY.pdb
bemm_gen/share/FF_PARAM/FF_ETY/ETY_orig.mol2
bemm_gen/share/FF_PARAM/FF_ETY/ETY_orig_round.mol2
bemm_gen/share/FF_PARAM/FF_ETY/ETY_partialChgs.mol2
bemm_gen/share/FF_PARAM/FF_ETY/ETY_psi4.mol2
bemm_gen/share/FF_PARAM/FF_ETY/description.txt
bemm_gen/share/FF_PARAM/FF_ETY/leap.in
bemm_gen/share/FF_PARAM/FF_ETY/smiles.png
bemm_gen/share/FF_PARAM/FF_ETY/smiles.txt
bemm_gen/share/FF_PARAM/FF_ETY/smiles_ETKDGv3.png
bemm_gen/share/FF_PARAM/FF_ETY/smiles_charges.png
bemm_gen/share/FF_PARAM/FF_GUA/GUA.frcmod
bemm_gen/share/FF_PARAM/FF_GUA/GUA.lib
bemm_gen/share/FF_PARAM/FF_GUA/GUA.mol2
bemm_gen/share/FF_PARAM/FF_GUA/GUA.pdb
bemm_gen/share/FF_PARAM/FF_GUA/GUA_orig.mol2
bemm_gen/share/FF_PARAM/FF_GUA/GUA_orig_round.mol2
bemm_gen/share/FF_PARAM/FF_GUA/GUA_partialChgs.mol2
bemm_gen/share/FF_PARAM/FF_GUA/GUA_psi4.mol2
bemm_gen/share/FF_PARAM/FF_GUA/description.txt
bemm_gen/share/FF_PARAM/FF_GUA/leap.in
bemm_gen/share/FF_PARAM/FF_GUA/smiles.png
bemm_gen/share/FF_PARAM/FF_GUA/smiles.txt
bemm_gen/share/FF_PARAM/FF_GUA/smiles_ETKDGv3.png
bemm_gen/share/FF_PARAM/FF_GUA/smiles_charges.png
bemm_gen/share/FF_PARAM/FF_HYD/HYD.frcmod
bemm_gen/share/FF_PARAM/FF_HYD/HYD.lib
bemm_gen/share/FF_PARAM/FF_HYD/HYD.mol2
bemm_gen/share/FF_PARAM/FF_HYD/HYD.pdb
bemm_gen/share/FF_PARAM/FF_HYD/HYD_orig.mol2
bemm_gen/share/FF_PARAM/FF_HYD/HYD_orig_round.mol2
bemm_gen/share/FF_PARAM/FF_HYD/HYD_partialChgs.mol2
bemm_gen/share/FF_PARAM/FF_HYD/HYD_psi4.mol2
bemm_gen/share/FF_PARAM/FF_HYD/description.txt
bemm_gen/share/FF_PARAM/FF_HYD/leap.in
bemm_gen/share/FF_PARAM/FF_HYD/smiles.png
bemm_gen/share/FF_PARAM/FF_HYD/smiles.txt
bemm_gen/share/FF_PARAM/FF_HYD/smiles_ETKDGv3.png
bemm_gen/share/FF_PARAM/FF_HYD/smiles_charges.png
bemm_gen/share/FF_PARAM/FF_MTI/MTI.frcmod
bemm_gen/share/FF_PARAM/FF_MTI/MTI.lib
bemm_gen/share/FF_PARAM/FF_MTI/MTI.mol2
bemm_gen/share/FF_PARAM/FF_MTI/MTI.pdb
bemm_gen/share/FF_PARAM/FF_MTI/MTI_orig.mol2
bemm_gen/share/FF_PARAM/FF_MTI/MTI_orig_round.mol2
bemm_gen/share/FF_PARAM/FF_MTI/MTI_partialChgs.mol2
bemm_gen/share/FF_PARAM/FF_MTI/MTI_psi4.mol2
bemm_gen/share/FF_PARAM/FF_MTI/description.txt
bemm_gen/share/FF_PARAM/FF_MTI/leap.in
bemm_gen/share/FF_PARAM/FF_MTI/smiles.png
bemm_gen/share/FF_PARAM/FF_MTI/smiles.txt
bemm_gen/share/FF_PARAM/FF_MTI/smiles_ETKDGv3.png
bemm_gen/share/FF_PARAM/FF_MTI/smiles_charges.png
bemm_gen/share/FF_PARAM/FF_MTO/MTO.frcmod
bemm_gen/share/FF_PARAM/FF_MTO/MTO.lib
bemm_gen/share/FF_PARAM/FF_MTO/MTO.mol2
bemm_gen/share/FF_PARAM/FF_MTO/MTO.pdb
bemm_gen/share/FF_PARAM/FF_MTO/MTO_orig.mol2
bemm_gen/share/FF_PARAM/FF_MTO/MTO_orig_round.mol2
bemm_gen/share/FF_PARAM/FF_MTO/MTO_partialChgs.mol2
bemm_gen/share/FF_PARAM/FF_MTO/MTO_psi4.mol2
bemm_gen/share/FF_PARAM/FF_MTO/description.txt
bemm_gen/share/FF_PARAM/FF_MTO/leap.in
bemm_gen/share/FF_PARAM/FF_MTO/smiles.png
bemm_gen/share/FF_PARAM/FF_MTO/smiles.txt
bemm_gen/share/FF_PARAM/FF_MTO/smiles_ETKDGv3.png
bemm_gen/share/FF_PARAM/FF_MTO/smiles_charges.png
bemm_gen/share/FF_PARAM/FF_MTY/MTY.frcmod
bemm_gen/share/FF_PARAM/FF_MTY/MTY.lib
bemm_gen/share/FF_PARAM/FF_MTY/MTY.mol2
bemm_gen/share/FF_PARAM/FF_MTY/MTY.pdb
bemm_gen/share/FF_PARAM/FF_MTY/MTY_orig.mol2
bemm_gen/share/FF_PARAM/FF_MTY/MTY_orig_round.mol2
bemm_gen/share/FF_PARAM/FF_MTY/MTY_partialChgs.mol2
bemm_gen/share/FF_PARAM/FF_MTY/MTY_psi4.mol2
bemm_gen/share/FF_PARAM/FF_MTY/description.txt
bemm_gen/share/FF_PARAM/FF_MTY/leap.in
bemm_gen/share/FF_PARAM/FF_MTY/smiles.png
bemm_gen/share/FF_PARAM/FF_MTY/smiles.txt
bemm_gen/share/FF_PARAM/FF_MTY/smiles_ETKDGv3.png
bemm_gen/share/FF_PARAM/FF_MTY/smiles_charges.png
bemm_gen/share/FF_PARAM/FF_NEG/NEG.frcmod
bemm_gen/share/FF_PARAM/FF_NEG/NEG.lib
bemm_gen/share/FF_PARAM/FF_NEG/NEG.mol2
bemm_gen/share/FF_PARAM/FF_NEG/NEG.pdb
bemm_gen/share/FF_PARAM/FF_NEG/NEG_orig.mol2
bemm_gen/share/FF_PARAM/FF_NEG/NEG_orig_round.mol2
bemm_gen/share/FF_PARAM/FF_NEG/NEG_partialChgs.mol2
bemm_gen/share/FF_PARAM/FF_NEG/NEG_psi4.mol2
bemm_gen/share/FF_PARAM/FF_NEG/description.txt
bemm_gen/share/FF_PARAM/FF_NEG/leap.in
bemm_gen/share/FF_PARAM/FF_NEG/smiles.png
bemm_gen/share/FF_PARAM/FF_NEG/smiles.txt
bemm_gen/share/FF_PARAM/FF_NEG/smiles_ETKDGv3.png
bemm_gen/share/FF_PARAM/FF_NEG/smiles_charges.png
bemm_gen/share/FF_PARAM/FF_POS/POS.frcmod
bemm_gen/share/FF_PARAM/FF_POS/POS.lib
bemm_gen/share/FF_PARAM/FF_POS/POS.mol2
bemm_gen/share/FF_PARAM/FF_POS/POS.pdb
bemm_gen/share/FF_PARAM/FF_POS/POS_orig.mol2
bemm_gen/share/FF_PARAM/FF_POS/POS_orig_round.mol2
bemm_gen/share/FF_PARAM/FF_POS/POS_partialChgs.mol2
bemm_gen/share/FF_PARAM/FF_POS/POS_psi4.mol2
bemm_gen/share/FF_PARAM/FF_POS/description.txt
bemm_gen/share/FF_PARAM/FF_POS/leap.in
bemm_gen/share/FF_PARAM/FF_POS/smiles.png
bemm_gen/share/FF_PARAM/FF_POS/smiles.txt
bemm_gen/share/FF_PARAM/FF_POS/smiles_ETKDGv3.png
bemm_gen/share/FF_PARAM/FF_POS/smiles_charges.png
bemm_gen/share/FF_PARAM/FF_THE/THE.frcmod
bemm_gen/share/FF_PARAM/FF_THE/THE.lib
bemm_gen/share/FF_PARAM/FF_THE/THE.mol2
bemm_gen/share/FF_PARAM/FF_THE/THE.pdb
bemm_gen/share/FF_PARAM/FF_THE/THE_orig.mol2
bemm_gen/share/FF_PARAM/FF_THE/THE_orig_round.mol2
bemm_gen/share/FF_PARAM/FF_THE/THE_partialChgs.mol2
bemm_gen/share/FF_PARAM/FF_THE/THE_psi4.mol2
bemm_gen/share/FF_PARAM/FF_THE/description.txt
bemm_gen/share/FF_PARAM/FF_THE/leap.in
bemm_gen/share/FF_PARAM/FF_THE/smiles.png
bemm_gen/share/FF_PARAM/FF_THE/smiles.txt
bemm_gen/share/FF_PARAM/FF_THE/smiles_ETKDGv3.png
bemm_gen/share/FF_PARAM/FF_THE/smiles_charges.png
bemm_gen/share/FF_PARAM/FF_THI/THI.frcmod
bemm_gen/share/FF_PARAM/FF_THI/THI.lib
bemm_gen/share/FF_PARAM/FF_THI/THI.mol2
bemm_gen/share/FF_PARAM/FF_THI/THI.pdb
bemm_gen/share/FF_PARAM/FF_THI/THI_orig.mol2
bemm_gen/share/FF_PARAM/FF_THI/THI_orig_round.mol2
bemm_gen/share/FF_PARAM/FF_THI/THI_partialChgs.mol2
bemm_gen/share/FF_PARAM/FF_THI/THI_psi4.mol2
bemm_gen/share/FF_PARAM/FF_THI/description.txt
bemm_gen/share/FF_PARAM/FF_THI/leap.in
bemm_gen/share/FF_PARAM/FF_THI/smiles.png
bemm_gen/share/FF_PARAM/FF_THI/smiles.txt
bemm_gen/share/FF_PARAM/FF_THI/smiles_ETKDGv3.png
bemm_gen/share/FF_PARAM/FF_THI/smiles_charges.png