[gmx-users] adding to liquids in the simulation box: one is in the right side of the box and the other in the left side

[Justin A. Lemkul]

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Maria Hamilton wrote:
> Hi
> 
> I want to build my simulation box as tutorial. However I change 
> "vdwradii.dat" file according to the tutorial liquid 2 mix with liquid 
> 1. What should I do?
> 

So increase the radius of whatever atom types are needed until the solvents 
don't mix.  The tutorial provides a generic workflow for a discrete system; you 
may have to tweak it to suit your needs.

-Justin

> Thanks
> 
> Maria

-- 
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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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