ADL: non-integral charges

Boris Gorelik bgbg at pob.huji.ac.il
Mon Jan 16 23:18:36 PST 2006


>From AutoDock list archive: 
http://mgldev.scripps.edu/pipermail/autodock/2003-July/000161.html


On Sunday, 15 בJanuary 2006 20:29, Kit Fuhrman wrote:
> I was wondering the same thing.  Does anyone have an answer?
>
> How would someone go about fixing something like this?  Would you have to
> manually edit the PDB file?
>
> Kit Fuhrman
>
>
>
>
> On 1/12/06 10:01 AM, "Carsten Baldauf"
>
> <carsten.baldauf at biotec.tu-dresden.de> wrote:
> > dear all//
> >
> > i get error messages warning because of non-integral charges on my
> > ligand ... how important are these?
> >
> > thanks//
> > carsten
>
> ________________________________________________
> --- ADL: AutoDock List  ---
> http://www.scripps.edu/pub/olson-web/doc/autodock/ ---

-- 
Boris Gorelik

-=  =-
----------------------------------------------------------
 Molecular Modeling and Drug Design Group               
 Department of Medicinal Chemistry and Natural Products 
 School of Pharmacy, Hebrew University of Jerusalem     
 http: // www.md.huji.ac.il/models/group.html           
 Tel: (972)(2)6757351                                   
---------------------------------------------------------




More information about the autodock mailing list