GROMACS version: 2018
GROMACS modification: No
I’m interested in measuring the interaction energy between a membrane protein and its environment, both by itself and as a dimer to estimate which is more likely in vivo. I’ve run ~500 ns of Martini simulations, and am hoping that there is a post processing way to parse the energy file, though of course I can rerun these simulations if needed. Happy to read through any documentation or manuscripts, but I was having difficultly finding a place to start and appreciate any assistance!