GROMACS version: 2020.3
GROMACS modification: No
Hello dear community,
I have been studying the interaction between polymers with surfaces. Generally, this occurs mediated by an ion in a surface — ion — polymer form, where it is counted as interaction when the ion is interacting with the surface and the polymer simultaneously.
I use my own program to determine the amount of these interactions over time, but it is quite slow because the surface and polymers have several actives sites to interact.
I wonder if there is a way to do it with the Gromacs analysis programs to count these interactions. Unfortunately the gmx mindist program can only determine pair interactions I think.