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

[Yasser Almeida Hernández]

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
>
> --
> Gromacs Users mailing list
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