[gmx-users] specbond # bonds

[Justin A. Lemkul]

I suggest consulting the wiki:

http://wiki.gromacs.org/index.php/specbond.dat

-Justin

Grange Hermitage wrote:
> Hi,
>  
> does the following specbond.dat line build a double bond between the 
> two atoms? 
> CHU    C3      2      CHV    C4      2      0.2    CHU    CHV
>  
> What would happen if the first number was 2 but the second number was 1 ?
> Would two C4s need to be at the right distance away from the one C3?
>  
> Thanks,
>    Grange.
>   
>
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-- 
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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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