This means that some U tensors are non-positive definite (i.e. no nice thermal ellipsoid). If by transient, you mean they have gone away by the last cycle of refinement, then you can maybe ignore them. But probably, you need to adjust your restraints, e.g. the SPHEricity restraint (under Geometric parameters in the gui).
HTH Martyn On Wed, 2009-09-02 at 19:26 -0700, Bernhard Rupp wrote: > Hi there – > > > > a transient message appears during anisotropic refinement > > CCP4 6.1: Refmac_5.5.0071 > > Problem in MAKE_U_POSITIVE > > that seems to have no further consequences. I guess that means that > some > > elements in a U tensor lead to a divergent behavior, but details evade > me. > > > > Just curious…. > > BR > > > > ----------------------------------------------------------------- > > Bernhard Rupp > > b...@ruppweb.org > > http://www.ruppweb.org/ > > ----------------------------------------------------------------- > > Anything is possible if you don't know > > what you are talking about. > > ----------------------------------------------------------------- > > > > > > -- *********************************************************************** * * * Dr. Martyn Winn * * * * STFC Daresbury Laboratory, Daresbury, Warrington, WA4 4AD, U.K. * * Tel: +44 1925 603455 E-mail: martyn.w...@stfc.ac.uk * * Fax: +44 1925 603825 Skype name: martyn.winn * * URL: http://www.ccp4.ac.uk/martyn/ * ***********************************************************************
