Hello.

You do not provide enough detail for any type of answer. For example. I have 
run a small molecule (100 atoms) on my laptop and finished in an hour. I am 
currently running 70000 atoms on a computing cluster with 128 CPUs and it will 
take a week or two.

Dan
George Mason University




> On Apr 16, 2015, at 10:49 AM, Atila Petrosian <atila.petros...@gmail.com> 
> wrote:
> 
> Dear gromacs users
> 
> 
> 
> I have a question about computer which is needed for MD simulation by
> gromacs.
> 
> 
> 
> Is an all in one pc appropriate for MD simulation?
> 
> 
> 
> Any help will highly appreciated.
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