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tsoc
openmm
Commits
e3b25204
Commit
e3b25204
authored
Jul 15, 2013
by
leeping
Browse files
Merge github.com:leeping/openmm
parents
41e9a095
74415dd9
Changes
295
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20 changed files
with
827 additions
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818 deletions
+827
-818
wrappers/python/simtk/openmm/__init__.py
wrappers/python/simtk/openmm/__init__.py
+1
-1
wrappers/python/simtk/openmm/app/amberinpcrdfile.py
wrappers/python/simtk/openmm/app/amberinpcrdfile.py
+10
-10
wrappers/python/simtk/openmm/app/amberprmtopfile.py
wrappers/python/simtk/openmm/app/amberprmtopfile.py
+11
-11
wrappers/python/simtk/openmm/app/data/hydrogens.xml
wrappers/python/simtk/openmm/app/data/hydrogens.xml
+2
-2
wrappers/python/simtk/openmm/app/dcdfile.py
wrappers/python/simtk/openmm/app/dcdfile.py
+12
-12
wrappers/python/simtk/openmm/app/dcdreporter.py
wrappers/python/simtk/openmm/app/dcdreporter.py
+10
-10
wrappers/python/simtk/openmm/app/element.py
wrappers/python/simtk/openmm/app/element.py
+3
-3
wrappers/python/simtk/openmm/app/forcefield.py
wrappers/python/simtk/openmm/app/forcefield.py
+341
-334
wrappers/python/simtk/openmm/app/gromacsgrofile.py
wrappers/python/simtk/openmm/app/gromacsgrofile.py
+15
-15
wrappers/python/simtk/openmm/app/gromacstopfile.py
wrappers/python/simtk/openmm/app/gromacstopfile.py
+57
-56
wrappers/python/simtk/openmm/app/internal/amber_file_parser.py
...ers/python/simtk/openmm/app/internal/amber_file_parser.py
+32
-31
wrappers/python/simtk/openmm/app/internal/customgbforces.py
wrappers/python/simtk/openmm/app/internal/customgbforces.py
+126
-126
wrappers/python/simtk/openmm/app/internal/pdbstructure.py
wrappers/python/simtk/openmm/app/internal/pdbstructure.py
+8
-8
wrappers/python/simtk/openmm/app/modeller.py
wrappers/python/simtk/openmm/app/modeller.py
+111
-111
wrappers/python/simtk/openmm/app/pdbfile.py
wrappers/python/simtk/openmm/app/pdbfile.py
+21
-21
wrappers/python/simtk/openmm/app/pdbreporter.py
wrappers/python/simtk/openmm/app/pdbreporter.py
+10
-10
wrappers/python/simtk/openmm/app/simulation.py
wrappers/python/simtk/openmm/app/simulation.py
+10
-10
wrappers/python/simtk/openmm/app/statedatareporter.py
wrappers/python/simtk/openmm/app/statedatareporter.py
+2
-2
wrappers/python/simtk/openmm/app/topology.py
wrappers/python/simtk/openmm/app/topology.py
+35
-35
wrappers/python/simtk/openmm/vec3.py
wrappers/python/simtk/openmm/vec3.py
+10
-10
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wrappers/python/simtk/openmm/__init__.py
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e3b25204
wrappers/python/simtk/openmm/app/amberinpcrdfile.py
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wrappers/python/simtk/openmm/app/amberprmtopfile.py
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e3b25204
wrappers/python/simtk/openmm/app/data/hydrogens.xml
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wrappers/python/simtk/openmm/app/dcdfile.py
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wrappers/python/simtk/openmm/app/dcdreporter.py
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e3b25204
wrappers/python/simtk/openmm/app/element.py
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wrappers/python/simtk/openmm/app/forcefield.py
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wrappers/python/simtk/openmm/app/gromacsgrofile.py
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wrappers/python/simtk/openmm/app/gromacstopfile.py
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wrappers/python/simtk/openmm/app/internal/amber_file_parser.py
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wrappers/python/simtk/openmm/app/internal/customgbforces.py
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wrappers/python/simtk/openmm/app/internal/pdbstructure.py
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wrappers/python/simtk/openmm/app/modeller.py
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e3b25204
wrappers/python/simtk/openmm/app/pdbfile.py
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e3b25204
wrappers/python/simtk/openmm/app/pdbreporter.py
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e3b25204
wrappers/python/simtk/openmm/app/simulation.py
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e3b25204
wrappers/python/simtk/openmm/app/statedatareporter.py
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wrappers/python/simtk/openmm/app/topology.py
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wrappers/python/simtk/openmm/vec3.py
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