[gmx-users] Computer simulation details

Kukol, Andreas a.kukol at herts.ac.uk
Tue Jun 2 18:23:21 CEST 2009

As you already pointed out, it may take a very long time on ordinary PCs. On a laptop it would take even longer ...

Use a Linux workstation with 4 processor cores minimum.


> -----Original Message-----
> From: gmx-users-bounces at gromacs.org [mailto:gmx-users-bounces at gromacs.org]
> On Behalf Of Pramod Akula
> Sent: 02 June 2009 17:07
> To: gmx-users at gromacs.org
> Subject: [gmx-users] Computer simulation details
> Hi everyone,
> I would like to run GPCR protein dynamics in lipid bilayer along with
> water molecules and ions. As you all know it becomes huge system and
> may take very long time to obtain results on ordinary PCs.I would like
> to run the above mentioned simulation on my personnel laptop.
> Please let me know your best suggestions from experience ,which one
> would be the most efficient to do the same, I mean the constitution of
> the laptop like GB in RAM, number of cores required, processor clock,
> 3D graphics compatability, hard disc size and finally the brand.
> Your suggestions would be of great help to many.....
> Regards,
> Akula
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