Re: [AMBER] Mistake in using amber

From: <steinbrt.rci.rutgers.edu>
Date: Tue, 3 Aug 2010 03:32:53 -0400 (EDT)

Hi,

of course, this is not an amber problem per se. Unix/Linux has no
safeguards to prevent you from destroying any file on a wrong stroke of
Enter...

But that should not be a big problem, since you can just restore the file
from your nightly off-site backup, so at the very worst, a single day of
work will be lost.

Kind Regards,

Thomas

On Mon, August 2, 2010 8:55 pm, Rilei Yu wrote:
> Dear amber users,
>
> Do anyone has such painful experience? When you spend several weeks to
> finish your MD, and try to analysis the trajectory. You may replace your
> MD trajectory file by a mistake! For example, re-submit a job that has
> been done before. As a result, you have to re-do this job again!
>
> In fact, I have done this for several times. Prior to using amber, I used
> Gromacs which can well deal with this problem. Currently, when I use
> amber, I often make such mistake. Can anyone give some suggestions or do
> more to further improve this distinguished program?
>
> Best wishes,
>
> Rilei Yu
>
>
>
> _______________________________________________
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> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>


Dr. Thomas Steinbrecher
BioMaps Institute
Rutgers University
610 Taylor Rd.
Piscataway, NJ 08854

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Received on Tue Aug 03 2010 - 01:00:03 PDT
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