Hi Could someone point me to the routines in the XPLOR-NIH code that compute the 1/r-6 averaging for ambiguous distance restraints ? I am student in Dr David Baker's research group at the Univ of Washington, Seattle. We are trying to implement the 1/r-6 averaging in our RosettaNMR structure prediction/refinement algorithm. It would be very helpful if someone could quickly explain how this is done in XPLOR-NIH and point me to the relevant sections in the code.
Thanks Vatsan
