; eGFRD bimolecular reaction simulation ; units are microns and seconds [Variables] V = 90.9 ; volume in um^3 [Simulator] ;MaintenanceStep = 10000 ; check simulator internal consistency every N steps ;MaintenanceFile = sim_dump.out ; dump full simulator state to file at maintenance cycle EndTime = 0.001 ; should be 10 but that takes too long [World] Matrix = 8 ; must be 8 to run Size = V^(1/3) ; volume is in um^3 [SpeciesType] Name = E S ES P r = 0.001 ; goes faster with larger radii D = 10 ; um^2*s^-1 [ReactionRule] Rule = E + S <=> ES ; bimolecular reaction rule ka = 0.01 ; um^3/s kd = 1 [ReactionRule] Rule = ES -> E + P k = 1 [Particles] E = 909 ; insert particles S = 9091 ES = 0 P = 0 [CopyNumbers] Interval = 0.001 ; output particle count Type = Instantaneous