[gmx-users] how to make topol.top file for mixed solution

[Justin A. Lemkul]

cuong nguyen wrote:
> Dear,
> 
> I would like to create a solution of mix substances (hexanol and 
> octanol) in water. I got top files and gro files of these alcohols from 
> PRODRG server. However I do not know how to mix these top file to create 
> topol.top file for this mixture.
> 

Please read the tutorial:

http://www.gromacs.org/Documentation/Tutorials#Heterogeneous_Systems

-Justin

> Please help me.
> 
> Thank you very much.
> 
> Best regards,
> 
> Cuong
> 
> Nguyen Van Cuong
> PhD student - Curtin University of Technology
> Mobile: (+61) 452213981
>  
> 

-- 
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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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