lammps version - 29 oct 2020
I have done a simulation of a water droplet on a graphite surface the main objective was to find out the free energy difference between the initial and final configuration using the FEP module. Now I want to plot a curve between du/dλ and λ. How can I extract the data points from the final output file is what I am trying to figure out. From the fep.py code which is given in the lammps example folder I am able to calculate the value of the free energy difference of the system. Any help regarding how to generate the data sets to get a proper plot would be much appreciated.