ADL: (no subject)

Stefano Forli forli at scripps.edu
Fri Oct 28 11:05:05 PDT 2011


Hi,

I'm assuming you're using Windows (then the CygWin envronment). If so, there's a 
hard-coded boundary that limits the number of points to 64.

There are two ways of overcoming this issue:

1) reduce the grid resolution in your GPF (i.e. from 0.375 to 0.4, 0.5...)
2) run the calculation on a Linux/Mac/Unix system (were this limitation doesn't exist).

Hope this helps,

Stefano

On 10/28/2011 09:01 AM, lina wrote:
> On Fri, Oct 28, 2011 at 6:07 PM, ohm prakash<ohmprakash at gmx.com>  wrote:
>> Dear Friends,
>>   In Autodock is it not possible to assign grid size to more than 64A (I mean the number of points in x, y , z dimension). Whenver I try a docking with value above
> 64, it works well untill 'Run Autodock' then gets stuck midway the
> process. Is there anything that can be done about it. (I am trying a
> small peptide (12 residues) docking so grid area has to be big enough
> to accomodate the peptide within).I am using AutoDock 4.2.
>
>
> How did you get the value 64A?
>
> BTW, get stuck? is something relevant to the memory of your computer?
>
>> ________________________________________________
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>>
>
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-- 
  Stefano Forli, PhD

  Research Associate
  Olson Molecular Graphics Laboratory
  Dept. Molecular Biology,  MB-112
  The Scripps Research Institute
  10550  North Torrey Pines Road
  La Jolla,  CA 92037-1000,  USA.

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     fax: (858) 784-2860
     email: forli at scripps.edu
     http://www.scripps.edu/~forli/


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