Hi, I'm new in using xplor-nih and i'm trying to generate a model of a cyclic peptide using the protocol sa.inp, refine.inp and accept.inp based on NOE restraints obtained from noesy experiment. In particular for the NOE restraint I'm using the SUM averaging with SQUARE potential and scale 50. After the calculation the models obtained as accepted presented some interatomic distances that were out of the range of the corresponding NOE restraint, but the log of the accept.inp calculation didn't contain any highlighted violations and I don't understant why. Can some one point out something that can explain this discrepancy?
Thanks Stefano _______________________________________________ Xplor-nih mailing list [email protected] https://dcb.cit.nih.gov/mailman/listinfo/xplor-nih
