Hi, I presume you're talking about using the classic xplor NOE statement, in a situation where you have multiple ASSIgn statements with the same selections, but different distance bounds.
In that circumstance, xplor applies both copies of the restraint, with their forces calculated using their individual distance bounds. I actually fixed this problem in the next version of the Marvin error- tolerant NOE potential, but in practice, it's rarely an issue. --JK On Jul 10, 2006, at 1:40 PM, [email protected] wrote: > Hi, > > Does anyone know what Xplor does with duplicate noe restraints? > Does it > use the weaker or the stronger restraint? > > Thank you! > Michaeleen Callahan-Doucleff > > PH.D. Candidate > Department of Chemistry > University of California, Berkeley > Calvin Lab 3/350C > Berkeley, CA 94720 > 510-486-7315 > > _______________________________________________ > Xplor-nih mailing list > [email protected] > http://dcb.cit.nih.gov/mailman/listinfo/xplor-nih
