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April 6, 2011 at 3:10 pm
#5286
Anonymous
The loop file format very unintuitively uses from-1 indexing, not PDB numbering. If you wanted the loop to run from PDB residues 165-176, you need to figure out what the residue indices for those residues are, starting from 1. If PDB residue 165 is the 50th residue in your PDB, then you’d use loop file:
LOOP 50 61 0 0 0
Does that make sense?