[gmx-users] Dihedral not counted?

[Justin A. Lemkul]

Andrea Muntean wrote:
> Hi Justin,
>  
> here are the relevant parts, as pdf files. I miss a dihedral between the 
> atoms 2, 9, 10 and 17, which corresponds to the
> -CH   CH2   CH   +CH2 dihedral in the PS residue in the RTP entry.
>  

Please send them as plain text to the list so everyone can see them without 
having to download the files (and so they can be archived for reference).

-Justin

> For the trimer I should have 26 dihedrals, but in the TOP file I get 
> only 25 (I mean only the proper dihedrals, the impropers are OK).
>  
> Thanks for your help.
>  
> Andrea
>  
> 
>  

-- 
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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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