ADL: Autodock4 error !!!

raghu bhagavat rag_vocal at yahoo.co.in
Sat Apr 11 00:00:07 PDT 2009


Yes,..........
I used prepare_gpf4.py only to get the .gpf file.........and the i checked with the gpf file also..........the npts is 40 40 40..............

Anyways the ran the autogrid4 command again to get the fld, xyz files.........Now apparently the job is running fine.........seems a bit surprising.........

--- On Fri, 10/4/09, Liu Ji <zjuliuji at gmail.com> wrote:

From: Liu Ji <zjuliuji at gmail.com>
Subject: Re: ADL: Autodock4 error !!!
To: autodock at scripps.edu
Date: Friday, 10 April, 2009, 7:45 AM

Hi,

Here's probably a wrong parameter name in your gpf files, maybe in you
npts setting. The normal one is like
"npts 40 40 40                        # num.grid points in xyz"
 You are suggested to check it carefully.
BTW, you'd better use the script "prepare_gpf4.py" to prepare you gpf
files for virtual screening.

On 4/9/09, raghu bhagavat <rag_vocal at yahoo.co.in> wrote:
> Hi .........
> In my VS program using Autodock4, i got an error like this while running the
> autodock4 step............
>
> autogrid4: WARNING:  Unrecognized keyword in grid parameter file.
>
> autogrid4: ERROR:  You need to set the number of grid points using "npts"
> before setting the ligand atom types, using "ligand_types".
>
> Unsuccessful completion
>
> how to proceed??
>
>
>
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