[gmx-users] Terminus Atoms genrestr?

[Justin A. Lemkul]

TJ Mustard wrote:
> 
> 
> Hi all,
> 
> 
> Does anyone know how to make a positional restraint file for the 
> terminal atoms in a protein/rna/dna chain via genrestr? I know I can get 
> the backbone, C-alpha, etc.
> 
>  
> 
> Doing this by hand will be time consuming, and if there was an automated 
> way of doing this I would be very happy.
> 
> 

Like the other Gromacs utilities, genrestr can make use of index files.

-Justin

>  
> 
> Thank you,
> 
> TJ Mustard
> 

-- 
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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

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