[gmx-users] gromacs on GPU

Justin Lemkul jalemkul at vt.edu
Sun Jan 6 14:32:19 CET 2013

On 1/6/13 7:41 AM, James Starlight wrote:
> Have someone tried to use gromacs-4.5-gpu binaries ? Would that
> packages work on debian or its better to build from sources ? :)

The binaries online are very outdated.  Compiling from source is rather easy, 
and the website below has all the steps listed.



Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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