[ccp4bb]: Refmac Error/Warning Message: B Array for Hessian Tabulation too big ???

[David W Borhani]

Hi, I'm refining a structure in Refmac with eight 400-residue chains, 45-2.27 A resolution, space group P2 (yes, P2). NCS restraints (med/loose) from chain A, part 1, to corresponding parts of chains B-H. NCS also for A, part 2, to chains B-H. TLS also in 16 groups.

TLS refinement went fine, and lowered Rfree several percent, to 44%.

On the first cycle of restrained refinement I get this message:

        B Array for Hessian Tabulation too big
        Value reset to maximum
        Grid Values:
        0.1666666667 Angstrom for D
        6.1999999991 Angstrom ^2 for B

Keep getting this message on each cycle, but Rfree keeps dropping (~40%)

What does this mean? Is it bad?

Thanks,

Dave
~~~~~~~~~~~~~~~~~~~~~~~~
David W. Borhani, Ph.D.
Structural Biology Group Leader
Chemistry Department
Abbott Bioresearch Center
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