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

[Yasser Almeida Hernández]

Hi Dries,

Let's say that the price is irrelevant right now. Just imagine an 
hardware with all the ideal features for the calculations.

Thanks all for your answers.

Best

Yasser


--------------

Hi Yasser,

Could you give us an idea of the price range you're looking at? I'd
probably try to get a laptop with a decent gpu to accelerate your work as
much as possible. Unfortunately, such laptops are often pricy.

Kind regards

Dries

On 3 February 2016 at 11:17, Yasser Almeida Hern?ndez <
yasser.almeida.hernandez at chemie.uni-hamburg.de> wrote:

> Dear Joao,
>
> I am aware that laptops are not the proper hardware to run MD simulations.
> I do my runs in workstations designed for that purpose. The hardware I want
> to buy is not just for simulations, but for general private/work purpose,
> but I would like to have a device robust enough to run calculations. My
> question was to get some thoughts about an ideal/optimal hardware.
>
> Best
>
> Yasser
>
> ------------------------
> Message: 6
> Date: Wed, 3 Feb 2016 10:53:31 +0100
> From: Jo?o Henriques <joao.henriques.32353 at gmail.com>
> To: Discussion list for GROMACS users <gmx-users at gromacs.org>
> Subject: Re: [gmx-users] Laptop features for MD simulations -
>         recommendations
> Message-ID:
>         <
> CALC+HGT7zSMBkwitU11dprvH4m_qYW2BTKgnsq2Tvb70O71kwQ at mail.gmail.com>
> Content-Type: text/plain; charset=UTF-8
>
> 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,
> /J
>
> On Wed, Feb 3, 2016 at 10:30 AM, Yasser Almeida Hern?ndez <
> 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 Hern?ndez
>> 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