[gmx-users] topologies from autodock

Justin A. Lemkul jalemkul at vt.edu
Thu Jul 24 00:16:48 CEST 2008

KAUSHIK H.S. wrote:
> hi, 
> I have got a docked complex (ligand and protein) in pdb format from 
> autodock.  I am unable to generate topoloy file for the docked complex, 
> (but, I can do the same for protein and ligand separately).  
> Can any of you please guide me in generating topoloy file for the docked 
> complex.  Let me be more candid, "I am novice" in this field.

Generally, if this is the case, the answer can be found in one of the following 

1. The list archive
2. The wiki site
3. Google

In your case, you can quickly use Option #3 to locate John Kerrigan's 
enzyme-ligand tutorial.


> regards,
> Kaushik 
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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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