GCMD

[iwanchemist]

Hello Prof. Dubbeldam,
I wanna ask you about GCMD (MC/MD) skrip in module RASPA like this:

SimulationType         MolecularDynamics
NumberOfCycles         1000000
NumberOfEquilibrationCycles   100000
PrintEvery         1000

ContinueAfterCrash      yes
WriteBinaryRestartFileEvery   1000

Ensemble         MuPT

Forcefield         Local
CutOff            10.0

Movies yes
WriteMoviesEvery 1000

Framework 0
FrameworkName Framework_0_final_1_1_1_VASP
HeliumVoidFraction 0.801937
UnitCells 1 1 1
ExternalTemperature 298.0
ExternalPressure 1000000
ComputeRDF yes
WriteRDFEvery 1000

FlexibleFramework yes
FrameworkDefinitions Local

Component 0 MoleculeName              CO2
            MoleculeDefinition        Local
            IdealGasRosenbluthWeight  1.0
            SwapProbability           1.0
            CreateNumberOfMolecules   1

Based on this skrip, I am confused. If the MD script is simulated for 1,000,000 cycles, what is the default duration of the Monte Carlo simulation?