Re: [AMBER] sander restart

From: Soumendranath Bhakat <bhakatsoumendranath.gmail.com>
Date: Mon, 19 May 2014 09:28:58 +0200

use the restart file generated and check in how many steps the md or
whatever finished. Changed the remaining number of steps in the input and
re-run from the restart file.
All d best!!


On Mon, May 19, 2014 at 8:57 AM, sammia khatak <saammia_kt.hotmail.com>wrote:

> Hello
> Is there a way to restart calculation in sander when it stops due to
> powerout problem from the point where system switched off.
> Thanks
>
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>



-- 
Thanks & Regards;
Soumendranath Bhakat
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Received on Mon May 19 2014 - 01:00:02 PDT
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