On Thu, Apr 16, 2015 at 10:50 AM, Atila Petrosian <atila.petrosian.gmail.com
> wrote:
> Dear amber users
>
>
>
> I have a question about computer which is needed for MD simulation by
> amber.
>
>
>
> Is an all in one pc appropriate for MD simulation?
>
​Depends on the all-in-1 PC and what exactly you want to do with "MD". If
you want a GPU-accelerated machine, then you need to make sure that the PC
comes with a qualifying CUDA-capable GPU. A GTX 780 or 980 is best, while
the more budget versions (x70, x60, x50, ...) will be quite noticeably
slower.
Other than that consideration, there is no difference between an all-in-1
and a standard desktop (or laptop) when it comes to doing simulations --
what matters is the speed of the CPU and the speed and amount of the RAM
for the most part.
(And, of course, you have to delete Windoze and replace it with a good,
Unix-based operating system like a Linux or a BSD).
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Thu Apr 16 2015 - 08:00:06 PDT
