2D free energy plots and similarity calculation
This is an example of plotting 2d free energy surface and calculating overlap_coefficient (OC) of two 2D distributions. The input data is 1) met_chi1chi2.csv (chi1/chi2 dihedral angles of experimental data) 2) chirest10.c7eq.met.dat (chi1/chi2 dihedral angles of simulated data)
- plot_freeenergy_chi1chi2.ipynb produces the 2D free energy surfaces of met_chi1chi2.csv and chirest10.c7eq.met.dat
- overlap_coefficient.ipynb calculates OC between the two datasets