[gmx-users] all in one pc for MD simulation calculations

[Dan Sponseller]

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.petrosian at 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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