# LineShapeKin Simulation
#
# General simulation settings
# ======= Folder to put simulation results into ==========
Results_Path Example_1
# ======== 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-3 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0 1.25 1.5 2 2.5
# ======== 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 1e-3 1e-3 1e-3 1e-3 1e-3 1e-3 1e-3 1e-3 1e-3 1e-3 1e-3 1e-3 1e-3 1e-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