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

[Justin A. Lemkul]

Justin A. Lemkul wrote:
> 
> 
> 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
> 

Also possibly useful:

http://www.gromacs.org/Documentation/How-tos/Mixed_Solvents

-Justin

-- 
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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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