Re: [AMBER] Molecular Dynamic production

From: David A Case <case.biomaps.rutgers.edu>
Date: Sat, 29 Sep 2012 17:40:45 -0400

On Fri, Sep 28, 2012, Anogna wrote:
>
> I have submitted my complex protein for production phase. After running for
> few steps its getting stop without any error.
> can anyone help me out of this prob.

Here you say that the jobs ran "for a few steps" (how do you know that?);
in another email you say that there was no mdout file. Look carefully at how
you "submitted" the job (to some queueing system?). Are you sure the job was
even started?

I don't see anything wrong with your input. Even if there was, you should get
some output. (The first thing the program does is to print a banner heading,
giving the version of the program, etc.) Double check your submission
process, try running a very short job by hand, etc.

...dac


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Received on Sat Sep 29 2012 - 15:00:02 PDT
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