Code repository for "Energy landscape underlying spontaneous insertion and folding of an alpha-helical transmembrane protein into a bilayer"

cppFiles contains the custom code for this paper.

src contains the modified LAMMPS code for run the simulation.

scripts are used to do the simulation and analyze the results.

plotting contains the script to make all the figures in the paper.

non-essential scripts with helper function for running the simulation, free energy calculation and plotting can be found at https://github.com/luwei0917/awsemmd_script