GROMACS version: 2021.2
GROMACS modification: No
I am using gmx sham to get a free energy landscape from a 2d PCA .xvg graph (made through gmx anaeig). However, the outputs of gmx sham are all .xpm files besides the energies xvg—I would like to have some sort of output (xvg) which contains the plot data so I can import it into python and plot it myself.
Is there some flag I can attach to the gmx sham command to give me a data file with the x coordinate, y coordinate, and free energy for the entire FEL?