ADL: (no subject)
forli at scripps.edu
Fri Oct 28 11:05:05 PDT 2011
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,
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?
>> --- ADL: AutoDock List --- http://autodock.scripps.edu/mailing_list ---
> --- ADL: AutoDock List --- http://autodock.scripps.edu/mailing_list ---
Stefano Forli, PhD
Olson Molecular Graphics Laboratory
Dept. Molecular Biology, MB-112
The Scripps Research Institute
10550 North Torrey Pines Road
La Jolla, CA 92037-1000, USA.
tel: (858) 784-2055
fax: (858) 784-2860
email: forli at scripps.edu
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