GROMACS version: 2020.1
GROMACS modification: Yes with plumed
Dear Users,
I am trying to calculate the hydrogen bond profile between two groups ( donor and acceptor) based on the standard geometric conditions. I want to calculate the average HB along the z-direction. Is it possible using gromacs (commands like gmx hbond) or i have to use any other package for that ( like MDAnalysis). Kindly, help me in this regard.
Thanks,
Dev