GROMACS version: 2021.4
GROMACS modification: Yes/No
In umbrella sampling, We try to extract the potential of mean force (PMF) by adding a center-of-mass (COM) pulling (in pull code) between two identical types of molecules. I want to restrain the position of one molecule, whereas the second molecule will be free to move.
Can you please help how I can do that?
Thank you for your responses in advance.