[Dock-fans] Reading the energy grid from ../3_grid/grid.nrg

[Scott Brozell]

Hi,

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> > dock6 -i dock.in [-o dock.out]
> >   *** glibc detected *** malloc(): memory corruption (fast):

Please provide all the input files  and I'll try to
reproduce the failure.

Scott

On Wed, 8 Aug 2007, Julie Kneller wrote:

> Thanks for your help so far.  I have rigid docking working now (using
> smaller ligand and receptor files) but I still get a segmentation fault
> using the flexible docking using identical input files.  Can you think
> of anything that could be causing this?  --Julie
>
> -----Original Message-----
> From: Terry Lang
> Sent: Wednesday, August 08, 2007 3:36 PM
> Subject: Re: Question: Reading the energy grid from ../3_grid/grid.nrg
>
> Dear Julie,
>
>        There appears to be some kind of memory issue.  Since all your
> tests passed, there is probably something wrong with your personal
> system.  A couple of things to check:
>
> 1)  Open your ligand in a molecular viewer.  Does it look reasonable?
> Are bonds missing?
> 2)  How big is your grid?
> 3)  Are all of your spheres inside the grid box?
>
> If you continue to have problems, please send your files along so we can
> take a better look.
>
> Sincerely,
> Terry
>
>
> Julie Kneller wrote:
> > Can you help me?  Everything has worked perfectly up until this final
> > point,  --Julie
> >
> >
> > when trying rigid docking using
> >
> > dock6 -i rigid.in [-o rigid.out]
> >
> > I get a sementation fault.  The last line of rigid.out is "Reading the
>
> > energy grid from ../3_grid/grid.nrg".  The last line of grid.out is
> > "Finished calculation."
> >
> >
> > when trying flex docking using
> >
> > dock6 -i dock.in [-o dock.out]
> >
> > I get the following message:
> >
> >   *** glibc detected *** malloc(): memory corruption (fast):
> > 0x00000000008d1150 ***
> > Aborted
> >