GROMACS version: 2019.3
GROMACS modification: No
I am doing umbrella sampling simulations for the two peptides in a membrane system and the reaction coordinate is the distance between the center of mass of these two peptides. I was wondering if I should use “com” or “all” for the “refcoord-scaling” option. I use Martini force field with NPT ensemble.
I have used the “all” option in the production simulations.
Thank you very much in advance for your help.