GROMACS version: 2020.4
I want to plot the free energy surface diagram by using Rgy and rmsd data but what should i select among many choices (backbone,c-alpha mainchain-cbeta, system) ?
GROMACS version: 2020.4
I want to plot the free energy surface diagram by using Rgy and rmsd data but what should i select among many choices (backbone,c-alpha mainchain-cbeta, system) ?
What makes the most sense for your system? What value will characterize the type(s) of structural changes you are seeing?