Example: Distances between Selected Residues

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Example: Distances between Selected Residues

In the following example, all nonbonded distances between residue 10 and residue 70 that are within the nonbonded cutoff (CUTNB) as well as within the cutoff (CUTOFF) of the distance statement are printed.

parameter
  nbonds cutnb=20.
end
distance
  from=( residue 10 ) 
  to=( residue 70 )
  cuton=0.
  cutoff=20.
end

Xplor-NIH 2025-03-21