Re: [AMBER] Problems when I wanted to restart the MD production

From: Jason Swails <jason.swails.gmail.com>
Date: Wed, 3 Aug 2011 22:31:04 -0400

If the mdinfo file showed a time *later* than the mdout file, then this is
unexpected. However, pmemd uses a different flushing interval for the mdout
and mdinfo files (that is, output is flushed to the mdout file at least
every 30 seconds, whereas the mdinfo is flushed every 60 seconds). This is
done for performance reasons, but also shows that the mdinfo file may show
different information than the mdout file.

HTH,
Jason

On Wed, Aug 3, 2011 at 9:26 PM, zhouhaibin2008.ok <zhouhaibin2008.ok.163.com
> wrote:

> Hi all,
> I used sander to run MD production , but for some reason the task was
> stopped . When I wanted to restart the task , I found that the sander output
> file and restart file showed the same time to show when the task was stopped
> ,but the mdinfo file showed a different time . I wanted to known if the
> three files should show the same time . Did the different time mean some
> errors had happened ?
> Thank you in advance!
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>



-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Aug 03 2011 - 20:00:02 PDT
Custom Search