[gmx-users] nanoparticles

Mark Abraham Mark.Abraham at anu.edu.au
Wed Jan 5 09:37:03 CET 2011

On 5/01/2011 7:26 PM, leila separdar wrote:
> I want to simulate nanoparticles and I want to know if it is possible 
> to simulate nanoparticles by Gromacs or not? and if yes how can I 
> simulate a nanoparticle.

It's simple to say that it can be done, but it is not a kind of 
simulation that GROMACS targets. You'll be far better served to see what 
has already been attempted in the literature and thus what some fruitful 
approaches might be, than to presuppose that GROMACS is the right tool.


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