File size: 781 Bytes
74e10df | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 | SimulationType MonteCarlo
NumberOfCycles 1000000
NumberOfInitializationCycles 10000
PrintEvery 50000
RestartFile no
Forcefield ExampleMoleculeForceField
Box 0
BoxLengths 25 25 25
ExternalTemperature 298.0
ExternalPressure 0.0
ComputeMoleculeProperties yes
component 0 MoleculeName 2-methylbutane
FugacityCoefficient 1.0
MoleculeDefinition ExampleDefinitions
TranslationProbability 1.0
RotationProbability 1.0
ReinsertionProbability 1.0
PartialReinsertionProbability 1.0
CreateNumberOfMolecules 32
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