15 Oct
2008
15 Oct
'08
4:04 p.m.
Hi All, I just started using phenix.refine and it's working quite well so far. I ran the optimize weight strategy at the end of a test refinement and it lowered the Rfree as intended. Unfortunately, when I ran the next refine job based on the output .def file, it seems that the 'best weights' found in the previous run were not conserved as the geometry and R factors got a lot worse. Where can I find the weights determined by the optimize run and how can I fix those for further refinement? Thanks, Gerwald