Re: [AMBER] error while restart run

From: David A Case <case.biomaps.rutgers.edu>
Date: Tue, 7 May 2013 08:45:21 -0400

On Tue, May 07, 2013, Subrata Paul wrote:
>
> I want to run another md run from the previous restart file ( md.rst file)
> with the same input file but it is not runing.
> the output file stop at this stage
>
> ntpr=2000, ntwx=2000,
> nstlim=400000,

Usual advice: set nstlim=10, ntpr=1; see what happens.

...dac


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Received on Tue May 07 2013 - 06:00:03 PDT
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