Dear All,I want to track only solute-solute backbone hydrogen bonds. If my protein residues are from 1-200 and ligand number is 201 (name LIG) then how to modify following script to calculate hydrogen bonds between protein-ligand.
hbond Backbone :1-12.C,O,N,H avgout BB.avg.dat series uuseries bbhbond.gnu
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Received on Sun Jan 29 2017 - 08:30:02 PST
