[gmx-users] how much faster it is?

David spoel at xray.bmc.uu.se
Mon May 23 22:03:52 CEST 2005


On Mon, 2005-05-23 at 21:31 +0200, Marcin Wojdyr wrote:
> Hi,
> I've seen GROMACS (which is said to be the World's fastest MD :) )
> compared with AMBER, CHARMM and GROMOS96 in J. Mol. Mod. 7 (2001) paper.
> 
> Have anyone compared speed of GROMACS and LAMMPS or DL_POLY or GULP?
Not that I know of. Please try it...
GROMACS will be faster anyway at least on the CPUs that are supported
with assembly code.
> 
> Marcin
> 
-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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