AMBER Archive (2006)

Subject: Re: AMBER: Can we submit jobs in sequences to amber?

From: Ilyas Yildirim (yildirim_at_pas.rochester.edu)
Date: Mon Jun 26 2006 - 02:22:00 CDT


Hi,

If you are in linux, u may write a c-shell script to do it (As an example,
see DAC's Thermodynamic Integration tutorial). U can also write a script
using PERL, which will have a loop in it to do what u are asking. Good
luck.

Best,

On Mon, 26 Jun 2006, a a wrote:

> Dear All,
>
> Do you have any experiences that you could like to submit several jobs in a
> queue, so that the jobs will run one by one in sequence for your over the
> weekend?
>
> What kind of programs or software is needed, so that we can submit the
> several jobs to amber in sequences? Please kindly share your experience
> with me?
>
> Thanks a lot.
>
> aa
>
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-- 
  Ilyas Yildirim
  ---------------------------------------------------------------
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