Hello Tiago-- > Thank you for the answer. > Yes i´m referring to the energy. > Ok, so in this case the principal observable would be the chi^2 to the > experimental saxs data i imagine. > Is there any option to do a softer refinement? Maybe lowering the ini_t? Any > other parameter that i´m missing?
Lowering init_t will make refinement more gentle. Also, the refRMSD term can be used as an energy term- restraining your structure to a reference structure. Simply append this term to potList, and make certain the selection excludes the poorly define regions, and it may help. best regards-- Charles _______________________________________________ Xplor-nih mailing list [email protected] https://dcb.cit.nih.gov/mailman/listinfo/xplor-nih
