Hello, Perhaps this is a silly question, but I have been looking around and could not find a satisfying answer anywhere.
If I give XPLOR-NIH several redundant distance restraints (same atoms and the same distance) does XPLOR keep only one of them or all of them. I am imagining that if XPLOR-NIH reads the same restraint multiple times (possibly due to diagonals or multiple types of experiments) then this restraint would be over-represented in the structure calculation leading to bias. So my question is really two-fold: 1) Does XPLOR-NIH remove identical distance restraints from the energy calculation 2) If it doesn't, is this practically a problem and should I create a non-redundant distance restraint file as input to XPLOR-NIH? Thanks! David Langelaan
