Re: [AMBER] restart file

From: David A Case <case.biomaps.rutgers.edu>
Date: Mon, 22 Sep 2014 07:27:02 -0400

On Mon, Sep 22, 2014, Jacopo Sgrignani wrote:
>
> In this days I experienced problems with corrupted restart files and I was
> unable to restart a very long MD calculation.
>
> Some softwares as CPMD or Gromacs usually store the last two restart files,
> aiming to backup almost one uncorrupted version of the restart.
>
> Is there a similar possibility in Amber, otherwise could you give me a
> strategy for reducing the risk of having only one restart file?

See the "ntwr" parameter, section 17.6 of the Amber14 Reference Manual. (Same
variable name in earlier versions).

....dac


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Received on Mon Sep 22 2014 - 04:30:02 PDT
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