SimulationType                MonteCarlo
NumberOfCycles                25000
NumberOfInitializationCycles  0
NumberOfEquilibrationCycles   25000
RestartFile                   no
PrintEvery                    5000

ChargeMethod                  none
Forcefield                    local
CutOff                        12.0
EwaldPrecision                1e-6

Box 0
BoxLengths 150 150 150
ExternalTemperature 450.0
ExternalPressure 101300.0
CutOff  14.0

ComputeNumberOfMoleculesHistogram yes
WriteNumberOfMoleculesHistogramEvery 5000

Reaction 2 0 0 0 0 1 0 1
Reaction 0 0 0 1 0 0 1 0

ProbabilityCFCRXMCLambdaChangeMove 1.0
VolumeChangeProbability            0.1

Component 0 MoleculeName             propene
            MoleculeDefinition       Local
            LnPartitionFunction      87.1384
            TranslationProbability   35.0
            RotationProbability      53.9
            ReinsertionProbability   10.0 
            CreateNumberOfMolecules  400

Component 1 MoleculeName             ethene
            MoleculeDefinition       Local
            LnPartitionFunction      82.0298
            TranslationProbability   35.0
            RotationProbability      53.9
            ReinsertionProbability   10.0 
            CreateNumberOfMolecules  0

Component 2 MoleculeName             cis-2-butene
            MoleculeDefinition       Local
            LnPartitionFunction      89.0386
            TranslationProbability   35.0
            RotationProbability      53.9
            ReinsertionProbability   10.0 
            CreateNumberOfMolecules  0

Component 3 MoleculeName             trans-2-butene
            MoleculeDefinition       Local
            LnPartitionFunction      89.4937
            TranslationProbability   35.0
            RotationProbability      53.9
            ReinsertionProbability   10.0 
            CreateNumberOfMolecules  0