RASPA2 / data /examples /Basic /1_MC_Methane_in_Box /simulation.input
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SimulationType MonteCarlo
NumberOfCycles 10000
NumberOfInitializationCycles 5000
PrintEvery 1000
Forcefield ExampleMoleculeForceField
Box 0
BoxLengths 30 30 30
ExternalTemperature 300.0
Movies yes
WriteMoviesEvery 100
Component 0 MoleculeName methane
MoleculeDefinition ExampleDefinitions
TranslationProbability 1.0
CreateNumberOfMolecules 100