[gmx-users] Number of ligand contacts over the trajectories

[anu chandra]

Dear Gromacs users,

I am working with protein-ligand interaction. I would like to calculate the
number of contacts ligand make with the protein within a specific cut off (
say within 3.5 to 4.5 angstroms), along the simulation trajectories. Is
there any Gromacs analysis script, which can help me with doing this
calculation?

Thanks in advance

Regards
Anu