I have performed an Umbrella Sampling analysis on a membrane system in gromacs. My collective variable is the distance of a small molecule from the center of a membrane. Using the pullf file generated from gromacs how would I go about generating the bias force matrix for each of my 80 US windows?
I have performed an Umbrella Sampling analysis on a membrane system in gromacs. My collective variable is the distance of a small molecule from the center of a membrane. Using the pullf file generated from gromacs how would I go about generating the bias force matrix for each of my 80 US windows?