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Hi there, there nothing to worry about. The message is just saying that the program is doing some internal adjustments (maybe you have some very low or very high ADPs in your structure) in setting up the B grid size in order to calculate the sparse matrix. For more details you can look at Acta Cryst. (2003). D59, 2114-2124 Regards, Roberto Quoting David W Borhani <[EMAIL PROTECTED]>: > 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 > Vox: 508-688-3944 > Fax: 508-754-7784 > Email: [EMAIL PROTECTED] > Smail: Abbott Bioresearch Center, Inc. > 100 Research Drive > Worcester, MA 01605 U.S.A. > http://abbott.com/abbottbioresearch/ > ~~~~~~~~~~~~~~~~~~~~~~~~ -- Dr. Roberto Steiner Randall Division of Cell and Molecular Biophysics New Hunt's House King's College London Guy's Campus London, SE1 1UL Phone +44 (0)20-7848-8206 Fax +44 (0)20-7848-6435 e-mail [EMAIL PROTECTED]
