SimulationType                MC
NumberOfCycles                5000000000000
NumberOfInitializationCycles  20000
PrintEvery                    100000
PrintPropertiesEvery          100000

Forcefield                    GenericZeolites
CutOffVDW                     11.8

Framework                     0
FrameworkName                 ITQ-29
RemoveAtomNumberCodeFromLabel yes
UseChargesFromCIFFile         yes
UnitCells                     2 2 2
HeliumVoidFraction            0.401506
ExternalTemperature           300.0
ExternalPressure              0.0

Component 0 MoleculeName                 methane
            MoleculeDefinition           Generic
            BlockPockets                 yes
            BlockPocketsFilename         ITQ-29
            IdealGasRosenbluthWeight     1.0
            FugacityCoefficient          1.0
            ComputeFreeEnergyProfile     yes
            WriteFreeEnergyProfileEvery  5000
            TranslationProbability       1.0
            RotationProbability          1.0
            ReinsertionProbability       1.0
            CreateNumberOfMolecules      32