Re: AMBER: TI calculation using sander

From: David A. Case <case.scripps.edu>
Date: Tue, 7 Jun 2005 18:32:34 -0700

On Tue, Jun 07, 2005, Latifa Douali wrote:
>
> I am trying to redo the TI example given in the tutorial of amber8. I
> run the job as described in the tutorial. Sudenly, the calculation
> crashed with this error message:
>
> >unreasonably small cut for non-periodic run: 8.00

This is a change from Amber 7 to Amber 8. Add "cut=15.0" to your input file:
it won't affect the output, but will allow it to run.

Thanks for the report -- we will update the tutorial.

....regards...dac

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Received on Wed Jun 08 2005 - 02:53:00 PDT
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