[gmx-users] how much faster it is?
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:
> 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.
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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