[gmx-users] GPU calculation of GROMACS in Windows System

Mark Abraham Mark.Abraham at anu.edu.au
Mon Mar 16 07:18:00 CET 2009

li ming wrote:
> Hi! all:
> I am informed in OPENMM website that the OPENMM can accelerate  GPU 
> calculation of GROMACS in Windows System. How can I apply this method to 
> my study? Any ideas will be welcomed!!!

Probably you can't incorporate it in any conventional MD study. See the 
supported feature list here http://wiki.gromacs.org/index.php/OpenMM_GROMACS

> My display card in my PC is in ATI series, and the lib of OPENMM is not 
> provided in OPENMM website...So I guess I can do this simulation only in 
> Windows.
> I just know that OPENMM zephyr could achieve this goal, but only AMBER 
> forcefield is permitted. Did GROMACS have the WINDOWS version after 
> GROMACS 4? Or can I use cygwin to do simulation in WIndows using GPU.

GROMACS 4.x can run under cygwin. Maybe you can get the OpenMM version 
of GROMACS to run natively or under Cygwin, but you should seek your 
help from the people who released that version.


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