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

From: David A Case <>
Date: Thu, 6 Aug 2020 16:19:30 -0400

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.


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Received on Thu Aug 06 2020 - 13:30:02 PDT
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