Re: [AMBER] asking about "timlim" in accelerated MD

From: Setyanto Md <stwahyudi.md.gmail.com>
Date: Fri, 7 Aug 2020 06:04:22 +0700

Thank you Prof. David Case,

-------
Biophysics Division,
Department of Physics - Bogor Agricultural University
Gedung Fisika Wing-S Lt.2 Jl. Meranti
Kampus IPB Darmaga
Bogor - 16680
Indonesia


On Fri, Aug 7, 2020 at 3:19 AM David A Case <david.case.rutgers.edu> wrote:

> On Thu, Aug 06, 2020, Setyanto Md wrote:
>
> >In 2nd stage, with name LET WATER MOVE. There is 1 flag : timlim = 999999.
> >I'm trying to look for about timlim in AMber 19 Manual, but can't find it.
>
> This is the time limit in seconds for the job. I didn't even know that was
> still in the code. With the value above, the job would abort after 12
> days or
> so. It should quit cleanly, but I'd advise against counting on that.
>
> Default is no time limit. Generally better to use nstlim.
>
> ...dac
>
>
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Received on Thu Aug 06 2020 - 16:30:02 PDT
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