Hi everyone,
I have done molecular dynamics simulation of protein with ligand in GROMACS.
I am not much aware of occupancy of hydrogen bonds in complexes.
What does occupancy of hydrogen bonds in complexes signify??
During the trajectory analysis in VMD, I found the 4.5 % and 5.6 % of hydrogen bonding occpancies of two residues with ligand.
What is the maximum value of hydrogen bonding occupancy??