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??

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