[gmx-users] Laptop features for MD simulations - recommendations

João Henriques joao.henriques.32353 at gmail.com
Wed Feb 3 10:53:35 CET 2016

Dear Yasser,

I am by no means an expert on hardware, but I would strongly advise against
buying a laptop for the specific purpose of running (any and all) MD
simulations. A desktop is much better suited platform for such a task, as
you should be able to get a much bigger bang for your buck (this is the
main reason, but there are more cons).

Notice that I am not saying that you cannot run MD simulations on a laptop,
I'm just advising against it. In fact, you could probably run MD
simulations on a smartphone if you wanted to, but it doesn't sound like a
very good investment of your time and money. In my *personal opinion*, the
same holds true for the laptop.

Best regards,

On Wed, Feb 3, 2016 at 10:30 AM, Yasser Almeida Hernández <
yasser.almeida.hernandez at chemie.uni-hamburg.de> wrote:

> Hi all,
> I want to buy a laptop suitable and powerful enough for MD simulations
> with GROMACS (mostly membrane/protein systems). Could you recommend optimal
> features for this goal?
> Thanks
> Yasser
> --
> Yasser Almeida Hernández
> PhD student
> Institute of Biochemistry and Molecular Biology
> Department of Chemistry
> University of Hamburg
> Martin-Luther-King-Platz 6
> 20146 Hamburg
> Germany
> +49 40 42838 2845
> yasser.almeida.hernandez at chemie.uni-hamburg.de
> office: Grindelallee 117, room 250c
> --
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