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tsoc
openmm
Commits
844b38d9
"vscode:/vscode.git/clone" did not exist on "e47cf907fbd57747aafa5c2fb8834ce7997428de"
Commit
844b38d9
authored
Oct 19, 2013
by
Jason Swails
Browse files
Tweak comment in createSystem docstring to indicate GBn2 as an available choice.
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51a20b8c
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wrappers/python/simtk/openmm/app/amberprmtopfile.py
wrappers/python/simtk/openmm/app/amberprmtopfile.py
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wrappers/python/simtk/openmm/app/amberprmtopfile.py
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844b38d9
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@@ -152,7 +152,7 @@ class AmberPrmtopFile(object):
- constraints (object=None) Specifies which bonds angles should be implemented with constraints.
Allowed values are None, HBonds, AllBonds, or HAngles.
- rigidWater (boolean=True) If true, water molecules will be fully rigid regardless of the value passed for the constraints argument
- implicitSolvent (object=None) If not None, the implicit solvent model to use. Allowed values are HCT, OBC1, OBC2, or GBn.
- implicitSolvent (object=None) If not None, the implicit solvent model to use. Allowed values are HCT, OBC1, OBC2,
GBn,
or GBn
2
.
- soluteDielectric (float=1.0) The solute dielectric constant to use in the implicit solvent model.
- solventDielectric (float=78.5) The solvent dielectric constant to use in the implicit solvent model.
- removeCMMotion (boolean=True) If true, a CMMotionRemover will be added to the System
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