Hello, I am wanting to use cpptraj for some distance analysis (using the distance command). I want to see how far my ligand is from a specific residue. What is a good way for me to pick one residue, and to be certain that it is the residue I want? I know that amber numbers residues in numerical order.
Thanks in advance!
-Hunter
Hunter Brown
Bassoonist, Contrabassoonist, Composer, Chemical Engineering Major
University of New Mexico
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Received on Thu Aug 08 2013 - 14:00:07 PDT
