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tsoc
openmm
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dabc249c
Commit
dabc249c
authored
Mar 30, 2021
by
John Chodera
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Fix simtk import in User Guide
parent
40cc309d
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docs-source/usersguide/application.rst
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docs-source/usersguide/application.rst
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dabc249c
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@@ -864,8 +864,7 @@ small molecule force field you want to use:
::
# Define the keyword arguments to feed to ForceField
from simtk import unit
from openmm import app
from openmm import unit, app
forcefield_kwargs = { '
constraints
' : app.HBonds, '
rigidWater
' : True, '
removeCMMotion
' : False, '
hydrogenMass
' : 4*unit.amu }
# Initialize a SystemGenerator using GAFF
from openmmforcefields.generators import SystemGenerator
...
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