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Commit 3eff31f2 authored by Peter Eastman's avatar Peter Eastman
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Python examples only simulate 10,000 time steps instead of 100,000

parent 6c6161cb
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Showing with 4 additions and 4 deletions
examples/CMakeLists.txt
View file @ 3eff31f2
...@@ -95,13 +95,13 @@ ENDFOREACH(EX_ROOT ${F_EXAMPLES}) ...@@ -95,13 +95,13 @@ ENDFOREACH(EX_ROOT ${F_EXAMPLES})
INSTALL(FILES HelloArgonInCVS8/HelloArgonInC.vcproj INSTALL(FILES HelloArgonInCVS8/HelloArgonInC.vcproj
HelloArgonInCVS8/HelloArgonInC.sln HelloArgonInCVS8/HelloArgonInC.sln
DESTINATION examples/VisualStudio2005) DESTINATION examples/VisualStudio)
INSTALL(FILES README.txt DESTINATION examples) INSTALL(FILES README.txt DESTINATION examples)
INSTALL(FILES Makefile NMakefile DESTINATION examples) INSTALL(FILES Makefile NMakefile DESTINATION examples)
INSTALL(FILES HelloArgonVS8/HelloArgon.vcproj INSTALL(FILES HelloArgonVS8/HelloArgon.vcproj
HelloArgonVS8/HelloArgon.sln HelloArgonVS8/HelloArgon.sln
DESTINATION examples/VisualStudio2005) DESTINATION examples/VisualStudio)
INSTALL(FILES HelloOpenMM.ppt INSTALL(FILES HelloOpenMM.ppt
DESTINATION examples) DESTINATION examples)
examples/simulateAmber.py
View file @ 3eff31f2
...@@ -10,4 +10,4 @@ simulation = Simulation(prmtop.topology, system, integrator) ...@@ -10,4 +10,4 @@ simulation = Simulation(prmtop.topology, system, integrator)
simulation.context.setPositions(inpcrd.positions) simulation.context.setPositions(inpcrd.positions)
simulation.minimizeEnergy() simulation.minimizeEnergy()
simulation.reporters.append(PDBReporter('output.pdb', 1000)) simulation.reporters.append(PDBReporter('output.pdb', 1000))
simulation.step(100000) simulation.step(10000)
examples/simulatePdb.py
View file @ 3eff31f2
...@@ -10,4 +10,4 @@ simulation = Simulation(pdb.topology, system, integrator) ...@@ -10,4 +10,4 @@ simulation = Simulation(pdb.topology, system, integrator)
simulation.context.setPositions(pdb.positions) simulation.context.setPositions(pdb.positions)
simulation.minimizeEnergy() simulation.minimizeEnergy()
simulation.reporters.append(PDBReporter('output.pdb', 1000)) simulation.reporters.append(PDBReporter('output.pdb', 1000))
simulation.step(100000) simulation.step(10000)
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