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B_MN Boverall :

where Boverall is the global (isotropic) temperature factor that QS assigns to all atoms of the Nth search model (for example, B_M1 20.0 will assign a temperature factor of 20.0Å2 to all atoms of model number 1 (corresponding to the file defined by MOD1, see page [*])). This only affects the electron density and molecular transform calculation, because after each Monte Carlo step the Fc's are scaled to Fo's using an overall scale and temperature factor. A value of about 20 to 30Å2 would be OK for most protein work. Default 20.0Å2.



NMG, January 2005