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

2016-02-03 Thread Yasser Almeida Hernández
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

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

2016-02-03 Thread João Henriques
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 i

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

2016-02-03 Thread Yasser Almeida Hernández
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 To: Discussion list for GROMACS users Subject: Re: [gmx-users] Laptop features for MD simulations

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

2016-02-03 Thread Dries Van Rompaey
100 > From: Jo?o Henriques > To: Discussion list for GROMACS users > Subject: Re: [gmx-users] Laptop features for MD simulations - > recommendations > Message-ID: > < > calc+hgt7zsmbkwitu11dprvh4m_qyw2btkgnsq2tvb70o71...@mail.gmail.com> > Content-Type:

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

2016-02-03 Thread Yasser Almeida Hernández
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 To: Discussion list for GROMACS users Subject: Re: [gmx-users] Laptop features for MD simulations - recommendations Messa

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

2016-02-03 Thread João Henriques
e/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

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

2016-02-03 Thread Mark Abraham
;> 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. > >> > >> Be

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

2016-02-03 Thread Szilárd Páll
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 > To: Discu

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

2016-02-03 Thread Dries Van Rompaey
t;> >> Best >> >> Yasser >> >> ---- >> Message: 6 >> Date: Wed, 3 Feb 2016 10:53:31 +0100 >> From: Jo?o Henriques >> To: Discussion list for GROMACS users >> Subject: Re: [gmx-users] Laptop features for MD sim

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

2016-02-03 Thread Szilárd Páll
ork 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 >>> >>> >>>

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

2016-02-03 Thread Davide Cruz
s. 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 >

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

2016-02-05 Thread Björn Sommer
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 Hi Yasser, just an extension to the previous answers. In case, money is not the problem, I can p