SimulationType        MonteCarlo
NumberOfCycles        100000
PrintEvery            1000
PrintPropertiesEvery  1000

Forcefield            Local
CutOff                11.8

Framework                     0
FrameworkName                 ITQ-29
RemoveAtomNumberCodeFromLabel yes
UseChargesFromCIFFile         yes
UnitCells                     2 2 2
ExternalTemperature           298.0

Component 0 MoleculeName             helium
            MoleculeDefinition       Local
            BlockPockets             yes
            BlockPocketsFilename     ITQ-29
            WidomProbability         1.0
            CreateNumberOfMolecules  0