[gmx-users] Mix two solvents

[ilona.baldus at bioquant.uni-heidelberg.de]

Use the same box size for both. Then move one box with eidtconf  
-translate by its boxlength. Afterwards, you can simply put the boxes  
together to one large one.


Quoting teklebrh at ualberta.ca:

> Dear Gromacs,
>
> I want to combine two separately equilibrated solvents into one mixed
> solvent file. How can I do that? I want to check the mixing effect of
> those solvents and try to check the density and volume change before
> and after mixing those solvents. I have equilibrated and run MD for 2ns
> for each solvent and the density I got is pretty the same as of the
> experimental value. But now I want to combine both these files into one
> .gro file so that to see the volume/density change after MD and
> calculate the mixing effect. Can anybody help me on this issue?
>
> Thank you
>
> Rob
>
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