Hello 陈家良-- > > I am refining a protein structure only with PCSs data.All tensor parameters > are > allowed float in the calculation. In theory, the calculation should result in > the > same structures with different starting structures (largely different in some > regions). But I failed just with a different starting structure (attached > varytensor-refine file is my script). What should I do?
I think you're saying that your structures do not converge. The first thing to try is to fix the tensor Da and rhombicity to reasonable starting values- perhaps suggested by the numbat program. Have you tried this? Charles _______________________________________________ Xplor-nih mailing list [email protected] https://dcb.cit.nih.gov/mailman/listinfo/xplor-nih
