| SimulationType MonteCarlo | |
| NumberOfCycles 10000 | |
| 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 | |
| SurfaceAreaProbeDistance Sigma | |
| Component 0 MoleculeName N2 | |
| MoleculeDefinition Local | |
| BlockPockets yes | |
| BlockPocketsFilename ITQ-29 | |
| SurfaceAreaProbability 1.0 | |
| CreateNumberOfMolecules 0 | |