[gmx-users] Re: Protein ligand simulation

[Justin A. Lemkul]

bharat gupta wrote:
> Sorry I didn't understand . Can u brief it ??
> 

I already did:

http://lists.gromacs.org/pipermail/gmx-users/2011-December/066664.html

-Justin

> On Fri, Dec 2, 2011 at 11:47 AM, Justin A. Lemkul <jalemkul at vt.edu 
> <mailto:jalemkul at vt.edu>> wrote:
> 
> 
> 
>     bharat gupta wrote:
> 
>         Yes, I prepared the protein file separately using pdb2gmx and
>         then I pasted the ligand manually from the docked file.
> 
> 
>     Then you prepared it incorrectly.  You need to use the right units.
> 
>     -Justin
> 
> 
>     -- 
>     ==============================__==========
> 
>     Justin A. Lemkul
>     Ph.D. Candidate
>     ICTAS Doctoral Scholar
>     MILES-IGERT Trainee
>     Department of Biochemistry
>     Virginia Tech
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>     jalemkul[at]vt.edu <http://vt.edu> | (540) 231-9080
>     http://www.bevanlab.biochem.__vt.edu/Pages/Personal/justin
>     <http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin>
> 
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> -- 
> Bharat
> Ph.D. Candidate
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-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================