LICENSE
MANIFEST.in
README.rst
setup.py
OpenSMOG/OpenSMOG.py
OpenSMOG/OpenSMOG_Reporter.py
OpenSMOG/__init__.py
OpenSMOG/oscheck.py
OpenSMOG.egg-info/PKG-INFO
OpenSMOG.egg-info/SOURCES.txt
OpenSMOG.egg-info/dependency_links.txt
OpenSMOG.egg-info/entry_points.txt
OpenSMOG.egg-info/requires.txt
OpenSMOG.egg-info/top_level.txt
OpenSMOG.egg-info/zip-safe
OpenSMOG/share/OpenSMOG.xsd
OpenSMOG/share/tests/listoftests
OpenSMOG/share/tests/2ci2.AA/energies
OpenSMOG/share/tests/2ci2.AA/frame.0.gro
OpenSMOG/share/tests/2ci2.AA/frame.1.gro
OpenSMOG/share/tests/2ci2.AA/frame.2.gro
OpenSMOG/share/tests/2ci2.AA/frame.3.gro
OpenSMOG/share/tests/2ci2.AA/frame.4.gro
OpenSMOG/share/tests/2ci2.AA/frame.5.gro
OpenSMOG/share/tests/2ci2.AA/frame.6.gro
OpenSMOG/share/tests/2ci2.AA/frame.7.gro
OpenSMOG/share/tests/2ci2.AA/frame.8.gro
OpenSMOG/share/tests/2ci2.AA/frame.9.gro
OpenSMOG/share/tests/2ci2.AA/opentest.top
OpenSMOG/share/tests/2ci2.AA/opentest.xml
OpenSMOG/share/tests/2ci2.AA/smogcommands
OpenSMOG/share/tests/2ci2.AA.CD1/energies
OpenSMOG/share/tests/2ci2.AA.CD1/frame.0.gro
OpenSMOG/share/tests/2ci2.AA.CD1/frame.1.gro
OpenSMOG/share/tests/2ci2.AA.CD1/frame.2.gro
OpenSMOG/share/tests/2ci2.AA.CD1/frame.3.gro
OpenSMOG/share/tests/2ci2.AA.CD1/frame.4.gro
OpenSMOG/share/tests/2ci2.AA.CD1/frame.5.gro
OpenSMOG/share/tests/2ci2.AA.CD1/frame.6.gro
OpenSMOG/share/tests/2ci2.AA.CD1/frame.7.gro
OpenSMOG/share/tests/2ci2.AA.CD1/frame.8.gro
OpenSMOG/share/tests/2ci2.AA.CD1/frame.9.gro
OpenSMOG/share/tests/2ci2.AA.CD1/opentest.gro
OpenSMOG/share/tests/2ci2.AA.CD1/opentest.top
OpenSMOG/share/tests/2ci2.AA.CD1/opentest.xml
OpenSMOG/share/tests/2ci2.AA.CD1/smogcommands
OpenSMOG/share/tests/2ci2.AA.CD1/SBM_AA_dihe/dihetest.b
OpenSMOG/share/tests/2ci2.AA.CD1/SBM_AA_dihe/dihetest.bif
OpenSMOG/share/tests/2ci2.AA.CD1/SBM_AA_dihe/dihetest.nb
OpenSMOG/share/tests/2ci2.AA.CD1/SBM_AA_dihe/dihetest.sif
OpenSMOG/share/tests/2ci2.AA.CD4/energies
OpenSMOG/share/tests/2ci2.AA.CD4/frame.0.gro
OpenSMOG/share/tests/2ci2.AA.CD4/frame.1.gro
OpenSMOG/share/tests/2ci2.AA.CD4/frame.2.gro
OpenSMOG/share/tests/2ci2.AA.CD4/frame.3.gro
OpenSMOG/share/tests/2ci2.AA.CD4/frame.4.gro
OpenSMOG/share/tests/2ci2.AA.CD4/frame.5.gro
OpenSMOG/share/tests/2ci2.AA.CD4/frame.6.gro
OpenSMOG/share/tests/2ci2.AA.CD4/frame.7.gro
OpenSMOG/share/tests/2ci2.AA.CD4/frame.8.gro
OpenSMOG/share/tests/2ci2.AA.CD4/frame.9.gro
OpenSMOG/share/tests/2ci2.AA.CD4/opentest.gro
OpenSMOG/share/tests/2ci2.AA.CD4/opentest.top
OpenSMOG/share/tests/2ci2.AA.CD4/opentest.xml
OpenSMOG/share/tests/2ci2.AA.CD4/smogcommands
OpenSMOG/share/tests/2ci2.AA.CD4/SBM_AA_dihe/dihetest.b
OpenSMOG/share/tests/2ci2.AA.CD4/SBM_AA_dihe/dihetest.bif
OpenSMOG/share/tests/2ci2.AA.CD4/SBM_AA_dihe/dihetest.nb
OpenSMOG/share/tests/2ci2.AA.CD4/SBM_AA_dihe/dihetest.sif
OpenSMOG/share/tests/2ci2.AA.CustomDihedrals/energies
OpenSMOG/share/tests/2ci2.AA.CustomDihedrals/frame.0.gro
OpenSMOG/share/tests/2ci2.AA.CustomDihedrals/frame.1.gro
OpenSMOG/share/tests/2ci2.AA.CustomDihedrals/frame.2.gro
OpenSMOG/share/tests/2ci2.AA.CustomDihedrals/frame.3.gro
OpenSMOG/share/tests/2ci2.AA.CustomDihedrals/frame.4.gro
OpenSMOG/share/tests/2ci2.AA.CustomDihedrals/frame.5.gro
OpenSMOG/share/tests/2ci2.AA.CustomDihedrals/frame.6.gro
OpenSMOG/share/tests/2ci2.AA.CustomDihedrals/frame.7.gro
OpenSMOG/share/tests/2ci2.AA.CustomDihedrals/frame.8.gro
OpenSMOG/share/tests/2ci2.AA.CustomDihedrals/frame.9.gro
OpenSMOG/share/tests/2ci2.AA.CustomDihedrals/opentest.gro
OpenSMOG/share/tests/2ci2.AA.CustomDihedrals/opentest.top
OpenSMOG/share/tests/2ci2.AA.CustomDihedrals/opentest.xml
OpenSMOG/share/tests/2ci2.AA.CustomDihedrals/smogcommands
OpenSMOG/share/tests/2ci2.AA.CustomDihedrals/SBM_AA+CustomDihedrals/test.b
OpenSMOG/share/tests/2ci2.AA.CustomDihedrals/SBM_AA+CustomDihedrals/test.bif
OpenSMOG/share/tests/2ci2.AA.CustomDihedrals/SBM_AA+CustomDihedrals/test.nb
OpenSMOG/share/tests/2ci2.AA.CustomDihedrals/SBM_AA+CustomDihedrals/test.sif
OpenSMOG/share/tests/2ci2.AA.PBC/energies
OpenSMOG/share/tests/2ci2.AA.PBC/frame.0.gro
OpenSMOG/share/tests/2ci2.AA.PBC/frame.1.gro
OpenSMOG/share/tests/2ci2.AA.PBC/frame.2.gro
OpenSMOG/share/tests/2ci2.AA.PBC/frame.3.gro
OpenSMOG/share/tests/2ci2.AA.PBC/frame.4.gro
OpenSMOG/share/tests/2ci2.AA.PBC/frame.5.gro
OpenSMOG/share/tests/2ci2.AA.PBC/frame.6.gro
OpenSMOG/share/tests/2ci2.AA.PBC/frame.7.gro
OpenSMOG/share/tests/2ci2.AA.PBC/frame.8.gro
OpenSMOG/share/tests/2ci2.AA.PBC/frame.9.gro
OpenSMOG/share/tests/2ci2.AA.PBC/opentest.top
OpenSMOG/share/tests/2ci2.AA.PBC/opentest.xml
OpenSMOG/share/tests/2ci2.AA.PBC/smogcommands
OpenSMOG/share/tests/2ci2.AA.gaussian/energies
OpenSMOG/share/tests/2ci2.AA.gaussian/frame.0.gro
OpenSMOG/share/tests/2ci2.AA.gaussian/frame.1.gro
OpenSMOG/share/tests/2ci2.AA.gaussian/frame.2.gro
OpenSMOG/share/tests/2ci2.AA.gaussian/frame.3.gro
OpenSMOG/share/tests/2ci2.AA.gaussian/frame.4.gro
OpenSMOG/share/tests/2ci2.AA.gaussian/frame.5.gro
OpenSMOG/share/tests/2ci2.AA.gaussian/frame.6.gro
OpenSMOG/share/tests/2ci2.AA.gaussian/frame.7.gro
OpenSMOG/share/tests/2ci2.AA.gaussian/frame.8.gro
OpenSMOG/share/tests/2ci2.AA.gaussian/frame.9.gro
OpenSMOG/share/tests/2ci2.AA.gaussian/opentest.top
OpenSMOG/share/tests/2ci2.AA.gaussian/opentest.xml
OpenSMOG/share/tests/2ci2.AA.gaussian/smogcommands
OpenSMOG/share/tests/2ci2.AA.noxml/energies
OpenSMOG/share/tests/2ci2.AA.noxml/frame.0.gro
OpenSMOG/share/tests/2ci2.AA.noxml/frame.1.gro
OpenSMOG/share/tests/2ci2.AA.noxml/frame.2.gro
OpenSMOG/share/tests/2ci2.AA.noxml/frame.3.gro
OpenSMOG/share/tests/2ci2.AA.noxml/frame.4.gro
OpenSMOG/share/tests/2ci2.AA.noxml/frame.5.gro
OpenSMOG/share/tests/2ci2.AA.noxml/frame.6.gro
OpenSMOG/share/tests/2ci2.AA.noxml/frame.7.gro
OpenSMOG/share/tests/2ci2.AA.noxml/frame.8.gro
OpenSMOG/share/tests/2ci2.AA.noxml/frame.9.gro
OpenSMOG/share/tests/2ci2.AA.noxml/opentest.gro
OpenSMOG/share/tests/2ci2.AA.noxml/opentest.top
OpenSMOG/share/tests/2ci2.AA.noxml/smogcommands
OpenSMOG/share/tests/2ci2.CA/energies
OpenSMOG/share/tests/2ci2.CA/frame.0.gro
OpenSMOG/share/tests/2ci2.CA/frame.1.gro
OpenSMOG/share/tests/2ci2.CA/frame.2.gro
OpenSMOG/share/tests/2ci2.CA/frame.3.gro
OpenSMOG/share/tests/2ci2.CA/frame.4.gro
OpenSMOG/share/tests/2ci2.CA/frame.5.gro
OpenSMOG/share/tests/2ci2.CA/frame.6.gro
OpenSMOG/share/tests/2ci2.CA/frame.7.gro
OpenSMOG/share/tests/2ci2.CA/frame.8.gro
OpenSMOG/share/tests/2ci2.CA/frame.9.gro
OpenSMOG/share/tests/2ci2.CA/opentest.top
OpenSMOG/share/tests/2ci2.CA/opentest.xml
OpenSMOG/share/tests/2ci2.CA/smogcommands
OpenSMOG/share/tests/2ci2.CA.gaussian/energies
OpenSMOG/share/tests/2ci2.CA.gaussian/frame.0.gro
OpenSMOG/share/tests/2ci2.CA.gaussian/frame.1.gro
OpenSMOG/share/tests/2ci2.CA.gaussian/frame.2.gro
OpenSMOG/share/tests/2ci2.CA.gaussian/frame.3.gro
OpenSMOG/share/tests/2ci2.CA.gaussian/frame.4.gro
OpenSMOG/share/tests/2ci2.CA.gaussian/frame.5.gro
OpenSMOG/share/tests/2ci2.CA.gaussian/frame.6.gro
OpenSMOG/share/tests/2ci2.CA.gaussian/frame.7.gro
OpenSMOG/share/tests/2ci2.CA.gaussian/frame.8.gro
OpenSMOG/share/tests/2ci2.CA.gaussian/frame.9.gro
OpenSMOG/share/tests/2ci2.CA.gaussian/opentest.top
OpenSMOG/share/tests/2ci2.CA.gaussian/opentest.xml
OpenSMOG/share/tests/2ci2.CA.gaussian/smogcommands
OpenSMOG/share/tests/DNA-BMG.AA/energies
OpenSMOG/share/tests/DNA-BMG.AA/frame.0.gro
OpenSMOG/share/tests/DNA-BMG.AA/frame.1.gro
OpenSMOG/share/tests/DNA-BMG.AA/frame.10.gro
OpenSMOG/share/tests/DNA-BMG.AA/frame.2.gro
OpenSMOG/share/tests/DNA-BMG.AA/frame.3.gro
OpenSMOG/share/tests/DNA-BMG.AA/frame.4.gro
OpenSMOG/share/tests/DNA-BMG.AA/frame.5.gro
OpenSMOG/share/tests/DNA-BMG.AA/frame.6.gro
OpenSMOG/share/tests/DNA-BMG.AA/frame.7.gro
OpenSMOG/share/tests/DNA-BMG.AA/frame.8.gro
OpenSMOG/share/tests/DNA-BMG.AA/frame.9.gro
OpenSMOG/share/tests/DNA-BMG.AA/opentest.top
OpenSMOG/share/tests/DNA-BMG.AA/opentest.xml
OpenSMOG/share/tests/DNA-BMG.AA/smogcommands
OpenSMOG/share/tests/DNA-BMG.AA.CD1/energies
OpenSMOG/share/tests/DNA-BMG.AA.CD1/frame.0.gro
OpenSMOG/share/tests/DNA-BMG.AA.CD1/frame.1.gro
OpenSMOG/share/tests/DNA-BMG.AA.CD1/frame.10.gro
OpenSMOG/share/tests/DNA-BMG.AA.CD1/frame.2.gro
OpenSMOG/share/tests/DNA-BMG.AA.CD1/frame.3.gro
OpenSMOG/share/tests/DNA-BMG.AA.CD1/frame.4.gro
OpenSMOG/share/tests/DNA-BMG.AA.CD1/frame.5.gro
OpenSMOG/share/tests/DNA-BMG.AA.CD1/frame.6.gro
OpenSMOG/share/tests/DNA-BMG.AA.CD1/frame.7.gro
OpenSMOG/share/tests/DNA-BMG.AA.CD1/frame.8.gro
OpenSMOG/share/tests/DNA-BMG.AA.CD1/frame.9.gro
OpenSMOG/share/tests/DNA-BMG.AA.CD1/opentest.top
OpenSMOG/share/tests/DNA-BMG.AA.CD1/opentest.xml
OpenSMOG/share/tests/DNA-BMG.AA.CD1/smogcommands
OpenSMOG/share/tests/DNA-BMG.AA.CD1/SBM_AA_dihe/dihetest.b
OpenSMOG/share/tests/DNA-BMG.AA.CD1/SBM_AA_dihe/dihetest.bif
OpenSMOG/share/tests/DNA-BMG.AA.CD1/SBM_AA_dihe/dihetest.nb
OpenSMOG/share/tests/DNA-BMG.AA.CD1/SBM_AA_dihe/dihetest.sif
OpenSMOG/share/tests/DNA-BMG.AA.CD4/energies
OpenSMOG/share/tests/DNA-BMG.AA.CD4/frame.0.gro
OpenSMOG/share/tests/DNA-BMG.AA.CD4/frame.1.gro
OpenSMOG/share/tests/DNA-BMG.AA.CD4/frame.10.gro
OpenSMOG/share/tests/DNA-BMG.AA.CD4/frame.2.gro
OpenSMOG/share/tests/DNA-BMG.AA.CD4/frame.3.gro
OpenSMOG/share/tests/DNA-BMG.AA.CD4/frame.4.gro
OpenSMOG/share/tests/DNA-BMG.AA.CD4/frame.5.gro
OpenSMOG/share/tests/DNA-BMG.AA.CD4/frame.6.gro
OpenSMOG/share/tests/DNA-BMG.AA.CD4/frame.7.gro
OpenSMOG/share/tests/DNA-BMG.AA.CD4/frame.8.gro
OpenSMOG/share/tests/DNA-BMG.AA.CD4/frame.9.gro
OpenSMOG/share/tests/DNA-BMG.AA.CD4/opentest.top
OpenSMOG/share/tests/DNA-BMG.AA.CD4/opentest.xml
OpenSMOG/share/tests/DNA-BMG.AA.CD4/smogcommands
OpenSMOG/share/tests/DNA-BMG.AA.CD4/SBM_AA_dihe/dihetest.b
OpenSMOG/share/tests/DNA-BMG.AA.CD4/SBM_AA_dihe/dihetest.bif
OpenSMOG/share/tests/DNA-BMG.AA.CD4/SBM_AA_dihe/dihetest.nb
OpenSMOG/share/tests/DNA-BMG.AA.CD4/SBM_AA_dihe/dihetest.sif
OpenSMOG/share/tests/DNA-BMG.AA.CustomDihedrals/energies
OpenSMOG/share/tests/DNA-BMG.AA.CustomDihedrals/frame.0.gro
OpenSMOG/share/tests/DNA-BMG.AA.CustomDihedrals/frame.1.gro
OpenSMOG/share/tests/DNA-BMG.AA.CustomDihedrals/frame.10.gro
OpenSMOG/share/tests/DNA-BMG.AA.CustomDihedrals/frame.2.gro
OpenSMOG/share/tests/DNA-BMG.AA.CustomDihedrals/frame.3.gro
OpenSMOG/share/tests/DNA-BMG.AA.CustomDihedrals/frame.4.gro
OpenSMOG/share/tests/DNA-BMG.AA.CustomDihedrals/frame.5.gro
OpenSMOG/share/tests/DNA-BMG.AA.CustomDihedrals/frame.6.gro
OpenSMOG/share/tests/DNA-BMG.AA.CustomDihedrals/frame.7.gro
OpenSMOG/share/tests/DNA-BMG.AA.CustomDihedrals/frame.8.gro
OpenSMOG/share/tests/DNA-BMG.AA.CustomDihedrals/frame.9.gro
OpenSMOG/share/tests/DNA-BMG.AA.CustomDihedrals/opentest.top
OpenSMOG/share/tests/DNA-BMG.AA.CustomDihedrals/opentest.xml
OpenSMOG/share/tests/DNA-BMG.AA.CustomDihedrals/smogcommands
OpenSMOG/share/tests/DNA-BMG.AA.CustomDihedrals/SBM_AA+CustomDihedrals/test.b
OpenSMOG/share/tests/DNA-BMG.AA.CustomDihedrals/SBM_AA+CustomDihedrals/test.bif
OpenSMOG/share/tests/DNA-BMG.AA.CustomDihedrals/SBM_AA+CustomDihedrals/test.nb
OpenSMOG/share/tests/DNA-BMG.AA.CustomDihedrals/SBM_AA+CustomDihedrals/test.sif
OpenSMOG/share/tests/DNA-BMG.AA.CustomDihedrals2/energies
OpenSMOG/share/tests/DNA-BMG.AA.CustomDihedrals2/frame.0.gro
OpenSMOG/share/tests/DNA-BMG.AA.CustomDihedrals2/frame.1.gro
OpenSMOG/share/tests/DNA-BMG.AA.CustomDihedrals2/frame.10.gro
OpenSMOG/share/tests/DNA-BMG.AA.CustomDihedrals2/frame.2.gro
OpenSMOG/share/tests/DNA-BMG.AA.CustomDihedrals2/frame.3.gro
OpenSMOG/share/tests/DNA-BMG.AA.CustomDihedrals2/frame.4.gro
OpenSMOG/share/tests/DNA-BMG.AA.CustomDihedrals2/frame.5.gro
OpenSMOG/share/tests/DNA-BMG.AA.CustomDihedrals2/frame.6.gro
OpenSMOG/share/tests/DNA-BMG.AA.CustomDihedrals2/frame.7.gro
OpenSMOG/share/tests/DNA-BMG.AA.CustomDihedrals2/frame.8.gro
OpenSMOG/share/tests/DNA-BMG.AA.CustomDihedrals2/frame.9.gro
OpenSMOG/share/tests/DNA-BMG.AA.CustomDihedrals2/opentest.top
OpenSMOG/share/tests/DNA-BMG.AA.CustomDihedrals2/opentest.xml
OpenSMOG/share/tests/DNA-BMG.AA.CustomDihedrals2/smogcommands
OpenSMOG/share/tests/DNA-BMG.AA.CustomDihedrals2/SBM_AA+CustomDihedrals/test.b
OpenSMOG/share/tests/DNA-BMG.AA.CustomDihedrals2/SBM_AA+CustomDihedrals/test.bif
OpenSMOG/share/tests/DNA-BMG.AA.CustomDihedrals2/SBM_AA+CustomDihedrals/test.nb
OpenSMOG/share/tests/DNA-BMG.AA.CustomDihedrals2/SBM_AA+CustomDihedrals/test.sif
OpenSMOG/share/tests/PDBs/2ci2.adj.pdb
OpenSMOG/share/tests/PDBs/2ci2.split.pdb
OpenSMOG/share/tests/PDBs/DNA.terminal.BMG.pdb
OpenSMOG/share/tests/PDBs/RNA.adj.pdb
OpenSMOG/share/tests/PDBs/RNA.adj2.pdb
OpenSMOG/share/tests/RNAion.PBC/energies
OpenSMOG/share/tests/RNAion.PBC/frame.0.gro
OpenSMOG/share/tests/RNAion.PBC/frame.1.gro
OpenSMOG/share/tests/RNAion.PBC/frame.10.gro
OpenSMOG/share/tests/RNAion.PBC/frame.2.gro
OpenSMOG/share/tests/RNAion.PBC/frame.3.gro
OpenSMOG/share/tests/RNAion.PBC/frame.4.gro
OpenSMOG/share/tests/RNAion.PBC/frame.5.gro
OpenSMOG/share/tests/RNAion.PBC/frame.6.gro
OpenSMOG/share/tests/RNAion.PBC/frame.7.gro
OpenSMOG/share/tests/RNAion.PBC/frame.8.gro
OpenSMOG/share/tests/RNAion.PBC/frame.9.gro
OpenSMOG/share/tests/RNAion.PBC/notes
OpenSMOG/share/tests/RNAion.PBC/opentest.top
OpenSMOG/share/tests/RNAion.PBC/opentest.xml
OpenSMOG/share/tests/RNAion.PBC/smogcommands
OpenSMOG/share/tests/RNAion.PBC/sbm.test/test.b
OpenSMOG/share/tests/RNAion.PBC/sbm.test/test.bif
OpenSMOG/share/tests/RNAion.PBC/sbm.test/test.extras
OpenSMOG/share/tests/RNAion.PBC/sbm.test/test.ions.def
OpenSMOG/share/tests/RNAion.PBC/sbm.test/test.nb
OpenSMOG/share/tests/RNAion.PBC/sbm.test/test.sif
OpenSMOG/share/tests/RNAion2.PBC/energies
OpenSMOG/share/tests/RNAion2.PBC/frame.0.gro
OpenSMOG/share/tests/RNAion2.PBC/frame.1.gro
OpenSMOG/share/tests/RNAion2.PBC/frame.10.gro
OpenSMOG/share/tests/RNAion2.PBC/frame.2.gro
OpenSMOG/share/tests/RNAion2.PBC/frame.3.gro
OpenSMOG/share/tests/RNAion2.PBC/frame.4.gro
OpenSMOG/share/tests/RNAion2.PBC/frame.5.gro
OpenSMOG/share/tests/RNAion2.PBC/frame.6.gro
OpenSMOG/share/tests/RNAion2.PBC/frame.7.gro
OpenSMOG/share/tests/RNAion2.PBC/frame.8.gro
OpenSMOG/share/tests/RNAion2.PBC/frame.9.gro
OpenSMOG/share/tests/RNAion2.PBC/notes
OpenSMOG/share/tests/RNAion2.PBC/opentest.gro
OpenSMOG/share/tests/RNAion2.PBC/opentest.top
OpenSMOG/share/tests/RNAion2.PBC/opentest.xml
OpenSMOG/share/tests/RNAion2.PBC/smogcommands
OpenSMOG/share/tests/RNAion2.PBC/sbm.test/test.b
OpenSMOG/share/tests/RNAion2.PBC/sbm.test/test.bif
OpenSMOG/share/tests/RNAion2.PBC/sbm.test/test.extras
OpenSMOG/share/tests/RNAion2.PBC/sbm.test/test.ions.def
OpenSMOG/share/tests/RNAion2.PBC/sbm.test/test.nb
OpenSMOG/share/tests/RNAion2.PBC/sbm.test/test.sif
opensmog.egg-info/PKG-INFO
opensmog.egg-info/SOURCES.txt
opensmog.egg-info/dependency_links.txt
opensmog.egg-info/entry_points.txt
opensmog.egg-info/requires.txt
opensmog.egg-info/top_level.txt
opensmog.egg-info/zip-safe