[gmx-users] Greetings+Which computer?

Justin Lemkul jalemkul at vt.edu
Fri Jan 2 21:46:59 CET 2015

On 1/1/15 10:03 PM, amitabh jayaswal wrote:
> Dear ALL,
> I wish a Fulfilling, Accomplishing, Successful, Fun-filled, Healthy and
> Blessed New Year 2015 to everyone!
> May the New Year make you more beautiful, more complete, more happy, more
> loved and more respected, and fulfill all your wishes and needs!
> Moving ahead through GROMACS, I want to use it on my laptop,
> Which computer (laptop) do I purchase for GROMACS?
> Amongst other uses, I particularly intend to use it for Protein-Drug
> simulations and deliver honorable results through Computer-aided Drug
> Design. Please suggest the best machine possible.

I wouldn't advise using a laptop for high-performance computing.  You'll have 
heating issues.  If you don't have access to a real supercomputer, invest in a 
GPU workstation.  You can get a good GPU for only a few hundred dollars.



Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441


More information about the gromacs.org_gmx-users mailing list