AMBER Archive (2005)

Subject: Re: AMBER: TI calculation using sander

From: David A. Case (case_at_scripps.edu)
Date: Tue Jun 07 2005 - 20:32:34 CDT

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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