Hi Salameh,
there is PHENIX bulletin board where PHENIX-specific issues are discussed:
http://www.phenix-online.org/mailman/listinfo/phenixbb
Anyway, regarding your question:
> In every refinement round the wxc and wcu are out of control,
> although I
> modify the def file and change the values of wxc=1 and wxu=1 so they
> are tightly restrained, but it failed to fix the problem, wxc and wxu
> values keep fluctuating, in my latest refinement round wxc=256!!
Without having the data (model, data and command files) I can only guess:
I presume you have a ligand with a custom CIF file that defines rediculously
small
esds for torsions and which screws up the restraints target and weights.
If you send me the inputs I will have a closer look and tell what exactly is
wrong.
> wxu=3.The Stereochemistry looks very loosely restrained and the
> gap between
> R-free and R-work is too big. I've been using phenix for almost 4
> yearsand never had this problem, or once I set the values of wxc
> and wxu that
> will be it, never change.
Recently we had someone with the exact same problem and my above guess was
actually correct and solved the issue.
Pavel.
