AMBER Archive (2003)

Subject: Re: Simple question about sander parameter set

From: David A. Case (case_at_scripps.edu)
Date: Tue May 13 2003 - 10:00:22 CDT

On Tue, May 13, 2003, Peng Tao wrote:
>
> I am trying to use AMBER to do a simple protein MD. When I used NRUN
> parameter, no matter how long I run sander ( about 100 hours on 8 nodes
> with 2 cpus on each node), I never got any output.

What version of amber are you using? "nrun" is no longer a valid paramter
in Amber 7. It could be that the simulation is stopping immediately for
that reason, and that you are not seeing the error file for some reason.

Are you sure the job that gives no output is actually running?

..dac 

-- 

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David A. Case                     |  e-mail:      case_at_scripps.edu
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