ADL: Continue a docking ?

L. Michel Espinoza-Fonseca mef at ddt.biochem.umn.edu
Fri Mar 21 12:15:47 PDT 2008


Richa,

Unlike MD simulations, you cannot restart a docking simulation if it
crashes. This is mainly because autodock does not create restart
files. I'd strongly recommend you to restart your docking from the
beginning (I hope your docking system is not humongous!).

Cheers,
Michel

On Fri, Mar 21, 2008 at 7:31 AM, Richa Batra <richa.batra at gmail.com> wrote:
> can you please elaborate more on this...reply as soon as possible
>  thanks a lot
>
>  On Mon, Mar 17, 2008 at 5:15 PM, Cyril Bauvais <cyril.bauvais at u-psud.fr>
>  wrote:
>
>  > Runs are independant with autodock so you can run another job of 60 jobs
>  > and read them two, using autodocktools.
>  >
>  > Cyril Bauvais
>  >
>  >
>  >
>  > > --
>  > >
>  >
>  > ________________________________________________
>  > --- ADL: AutoDock List  --- http://autodock.scripps.edu/mailing_list ---
>  >
>
>
>
>  --
>  Regards
>  Ms Richa Batra
>  Bioinformatics Centre,
>  Universtiy of Pune,
>  Pune, MHT, India.
>  Alt. Id: batra.richa at yahoo.com
>  ________________________________________________
>  --- ADL: AutoDock List  --- http://autodock.scripps.edu/mailing_list ---
>


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