On Thu, Sep 23, 2010, Scott Brozell wrote:
>
> tleap's close contact warning emits the distance squared:
> Warning: Close contact of 1.922226 angstroms between .R<PQQ 1>.A<O9B 23> and .R<PQQ 1>.A<H5 29>
> The actual distance is 1.3864 which equals sqrt(1.922226).
>
should be fixed...thanks....dac
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Received on Thu Sep 23 2010 - 05:00:05 PDT
