On Sun, Nov 16, 2003 at 07:32:29PM +0900, Shunsaku Takeishi wrote:
> I would like to ask additional questions. The question is about Error
> message during Modeller performing. The error message is as below
>
> ##########ERROR MESSAGES.##########
>
> pair2___223E> Array too small. Increase MPAIRS
> current maximum, current need: 20454 20454
> recover____E> ERROR_STATUS >= STOP_ON_ERROR: 1 1
This error message is seen when Modeller guesses how many atom pairs to
use, and gets it wrong. If you are using a version of Modeller older
than 6v2, or 6v2 downloaded before July 2002, then please try again with
the most recent 6v2. If you have modified the van der Waals radii of
your atoms to non-physical values, this can cause problems (Modeller assumes
that the average vdw radius is roughly 1.5A when performing this calculation).
If this is your problem, you can work around it by using larger vdw radii, if
necessary scaling other distances appropriately. If not, please send the
input files that reproduce this problem, so that it can be fixed.
Ben Webb, Modeller Caretaker
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