[gmx-users] Re: Mixed Solvents Preparation?

[Justin A. Lemkul]

teklebrh at ualberta.ca wrote:
> Dear Gromas users,
> 
> I want to run another set of MD simulation of my polymer in a mixed 
> solvent.
> 
> step 1
> 
> 24 polymer molecules in a 10 * 10 * 10 nm of box.
> 
> step 2
> 
> I want to add 50% (v/v) of two solvents to this box. I have already done 
> an MD simulation with their individual solvents, now I want to run those 
> polymers in their mixture.
> 
> 
> Please suggest?
> 

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

-Justin

> Rob
> 

-- 
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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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