Dear Amber 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. How
can I get help from PTRAJ/CPPTRAJ for doing this calculation?.
Thanks in advance
Regards
Anu
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Received on Fri Aug 23 2013 - 06:00:05 PDT
