# LineShapeKin Simulation # # General simulation settings # ======= Folder to put simulation results into ========== Results_Path U_R2_conc_dep # ======== Total Ligand to total Receptor molar ratio at each titration point ======== # NOTE: first point L/R=0 has to be non-zero very small number to prevent /0 LRratio 1e-4 2e-4 3e-4 4e-4 5e-4 # ======== Number of points on smooth population curves and on ITC profile ======== # NOTE: >100 points will make complex models slow! LRpoints 150 # ======== constant M_ligand/Receptor ratio ======== # (in models that use it, otherwise - ignored) MRratio 0 # ======== Concentration of receptor, M ======== # You may have Rtotal vary corresponding to your experimental conditions and all calculations # at specific titration points given by LRratio will be correct. However, # the smooth curves will only be computed for fixed Rtotal. Rtotal 1e-3 0.5e-3 0.25e-3 0.125e-3 0.06e-3 # ========== Plotting options ============== #-- number of points in each individual spectral trace Spectral_Points 300 #-- limits of a spectral window /s w_min -50 w_max 350 #--- YES to display the titration series stacked rather than overlayed Stacked_Plot YES #-- if Stacked_Plot=YES, this is the percentage of the peak height for shifting the next trace up % Percent_Shift 15