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drop simtk from examples
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This drops the simtk package from the example on the website
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sroet authored Nov 15, 2021
1 parent a9c8e2c commit b27ab20
Showing 1 changed file with 4 additions and 4 deletions.
8 changes: 4 additions & 4 deletions data/example.py
Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
from simtk.openmm.app import *
from simtk.openmm import *
from simtk.unit import *
from openmm.app import *
from openmm import *
from openmm.unit import *
from sys import stdout

pdb = PDBFile('input.pdb')
Expand All @@ -12,4 +12,4 @@
simulation.minimizeEnergy()
simulation.reporters.append(PDBReporter('output.pdb', 1000))
simulation.reporters.append(StateDataReporter(stdout, 1000, step=True, potentialEnergy=True, temperature=True))
simulation.step(10000)
simulation.step(10000)

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