AMBER Archive (2007)

Subject: Re: AMBER: Re: MM-PBSA amber script problem

From: David A. Case (case_at_scripps.edu)
Date: Tue Apr 17 2007 - 16:35:59 CDT

On Tue, Apr 17, 2007, odde wrote:

> As you suggested, I have included
>
> @PROGRAMS
> SANDER $AMBERHOME/exe/sander
>
> It has an error like sander is not found than I have
> included the full source of sander
> @PROGRAMS
> SANDER /usr/local/appl/Amber8/exe/sander
>
> Still I have the same problem the job stops at the same
> stage.

I suspect that if your $AMBERHOME variable is not set correctly, then
something could fail down the line. You should try to get the first option
working correctly, and see if that helps.

...good luck...dac

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