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Re: [ccp4bb]: Refmac5 rigid body

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Jan Dohnalek wrote:

> Using ccp4i in CCP4-4.1, refmac5, rigid body refinementlog file says
> zillion times: Zero or negative things -8.9834788E-09 -7.1134236E-09
> -7.1134210E-09
>   -8.1561264E-09
>  Zero or negative things -6.6340027E-09 -5.2153148E-09 -5.2152376E-09
>   -6.0013745E-09
>  Zero or negative things -4.5164148E-09 -3.4926686E-09 -3.4926793E-09
>   -4.0568318E-09
>  Zero or negative things -4.6670277E-09 -3.6356134E-09 -3.6356154E-09
>   -4.2039541E-09
>  Zero or negative things -4.6670277E-09 -3.6356134E-09 -3.6356154E-09
>   -4.2039541E-09
>  Zero or negative things -4.5387112E-09 -3.5137429E-09 -3.5137322E-09

It may happen at very early stages of refinement. You can try

SOLVENT NO

Sometimes it helps.

Garib

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Garib N. Murshudov, Chemistry Department, University of York, U.K.
Tel: Home +44 (1904) 42 62 87, work:  +44 (1904) 43 25 65
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