Dear all,

I am trying to refine a crystal structure with RDCs, including NH, NC, and CaC (and dihedral angles). While NHs and dihedral angles give nice result, when I include any of the carbon RDCs the algorithm does not converge due to many violations. I wonder if there is any method to weight different thos NC and CaC RDCs to influence less than the NH, if that makes sense.

thank you
Leonidas
_______________________________________________
Xplor-nih mailing list
[email protected]
https://dcb.cit.nih.gov/mailman/listinfo/xplor-nih

Reply via email to