[gmx-users] Fwd: How to can i replace a molecule

[Justin Lemkul]

On 10/7/12 3:52 PM, Ali Alizadeh wrote:
> Dear All users
>
> How to can i replace a molecule(for example methane) with another
> molecule(propane)?
> Number of these molecules are given and their position is random,
>
> Can I use genbox or genion, How to do i do it?
>

Likely you can't, as you were already advised:

http://lists.gromacs.org/pipermail/gmx-users/2012-October/075338.html

A more robust approach for dealing with mixed systems can be found here:

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

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Research Scientist
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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