[phenixbb] rfree checksums version 1.3 and 1.4

hari jayaram harijay at gmail.com
Tue Apr 21 16:20:35 PDT 2009

Hi am using the same exact mtz data file from CCP4 uniquefy for two
refinements in phenix.
I did one round of refinement in phenix 1.3 and then used the output pdb of
that refinement and input into the next round of refinement . Only I
switched versions to phenix version 1.4.

Most other things weere the same including the resolution cutoff used and
the input mtz.
But phenix tells me that the md5checksums dont match.

i am very sure its the same input mtz and identical data resolution ( both
cases  specifying refinement.input.xray_data.high_resolution=3.0)

Could this message of mismatched checksums be an error due to chaging
versions midtsream . I certainly dont want to be trampling on my Rfree
reflections but apart from copying files to a new directory for the next
round and changing phenix versions I have changed little else

Thanks for your help in advance

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