Hi
the reason could be that refmac converts all aniso B to iso B when you do overall B value refinement.
Without data it would be difficult to test and give definite answer.
regards
Garib
On 9 Oct 2010, at 00:15, Hailiang Zhang wrote:
> Hi,
>
> I found there are many changes between refmac_5.5 and refmac_5.2. For
> example, the key word "REFI BREF OVER" will result in totally different
> results under these 2 versions. Based on my input PDB with anisotropic B
> pre-refined, refmac_5.5 gave a much higher R/Rfree than refmac_5.2. Can
> somebody explain the difference and give me some suggestions on how to
> modfiy the keyword in refmac_5.5 to match what refmac_5.2 have done by
> using "REFI BREF OVER"?
>
> Thanks!
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