SimulationType                MC
NumberOfCycles                2500
NumberOfInitializationCycles  5000
NumberOfEquilibrationCycles   5000
RestartFile                   no
PrintEvery                    100

ChargeMethod                  Ewald
Forcefield                    Local
CutOffVDW                     9.0
CutOffCoulomb                 9.0
EwaldPrecision                1e-5

Box 0
BoxLengths  34  34  34
ExternalTemperature 573.0
ExternalPressure 4e7

Reaction 1 3 0 0 0 2

ProbabilityCFCRXMCLambdaChangeMove 1.0
VolumeChangeProbability            0.1

Component 0 MoleculeName             N2
            MoleculeDefinition       Local
            LnPartitionFunction      208.188
            TranslationProbability   40.0
            RotationProbability      53.9
            ReinsertionProbability   5.0 
            CreateNumberOfMolecules  7

Component 1 MoleculeName             H2
            MoleculeDefinition       Local
            LnPartitionFunction      93.9084
            TranslationProbability   40.0
            RotationProbability      53.9
            ReinsertionProbability   5.0 
            CreateNumberOfMolecules  21

Component 2 MoleculeName             NH3
            MoleculeDefinition       Local
            LnPartitionFunction      253.69
            TranslationProbability   40.0
            RotationProbability      53.9
            ReinsertionProbability   5.0 
            CreateNumberOfMolecules  146