Sounds like you customized more options than you have revealed in the email. I think all you need to do is: - reset B; - remove water and ask phenix.refine ad it again; - run refinement with Cartesian SA; - use 5-10 macro-cycles; This should be totally sufficient. Instead of SA you can shake coordinates of input atoms with RMSD ~0.5A. Pavel On 2/18/15 12:29 PM, Tarek DawoD wrote:
to remove memory of the old original R-free flags (which is not available) and using a new test set, i reset the B factor and use SA (torsion angle)
i got this error: not implemented: support of different sites. individual and sites.torsion_angles selection.
what does that mean?
thank you in advance
TK_DawoD
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