[gmx-users] topologies from autodock

[Justin A. Lemkul]

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 
sources:

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.

-Justin

> 
> 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
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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