U.S. flag

An official website of the United States government
  next up previous contents index  Xplor-NIH home Documentation

Next: Deviations from Ideality and Up: Analysis of the Nonbonded Previous: Requirements

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 2024-09-13