[gmx-users] GROMACS vs GROMOS

David van der Spoel spoel at xray.bmc.uu.se
Tue Jan 15 08:33:04 CET 2002

On Mon, 14 Jan 2002, Naveen Michaud-Agrawal wrote:

>What are the differences between GROMOS and GROMACS? They both seem to
>come from the same group. (And I mean more than just the fact that GROMACS
>is open-source. What are the differences in capabilities?) Thanks.

The history is described in the gromacs 3 article:
E. Lindahl and B. Hess and D. van der Spoel
GROMACS 3.0: A package for molecular simulation and trajectory analysis
J. Mol. Mod. 7 (2001) pp. 306-317

GROMOS is maintained solely by Van Gunsteren's group in Zurich now
(http://www.igc.ethz.ch/gromos-docs/index.html) and it has some features
that GROMACS does not have, 4D MD, some free energy features.

Groeten, David.
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel

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