File size: 635 Bytes
74e10df | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 | SimulationType Visualization
NumberOfCycles 1000000000000
PrintEvery 5000000
FreeEnergyAveragingTypeVTK UnitCell
Forcefield ExampleZeolitesForceField
ChargeMethod None
Framework 0
FrameworkName ERI_SI
UnitCells 3 3 3
RemoveAtomNumberCodeFromLabel yes
ExternalTemperature 300.0
Component 0 MoleculeName helium
MoleculeDefinition ExampleDefinitions
BlockPockets yes
BlockPocketsFileName ERI_SI
IdealGasRosenbluthWeight 1.0
CreateNumberOfMolecules 0
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