On Mon, Oct 08, 2012, Cao Yang wrote:
>
> When the job went to 38ns, some asterisks appear in the restart
> file. That leads to the impossibility of restarting the job. Now the
> only thing I can do is to avoid breaking the calculation. I copied some
> of the data in the rst file.
>
>
> 59.7272199************ 137.8027357 -59.5537208************ 138.0484368
> 60.4061406************ 138.4130880-156.4547856 88.0830801 142.243969
>
> My question is:
> Why did this problem arise and how should I fix it?
This can usually be fixed by setting iwrap=1 in the input file. Search on
this in the Amber mailing list archives, and you'll find lots of hits.
...good luck...dac
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Received on Mon Oct 08 2012 - 06:00:06 PDT
