[gmx-users] Re: GROMACS and Amber FF

David van der Spoel spoel at xray.bmc.uu.se
Mon Jan 24 10:31:58 CET 2005

On Mon, 2005-01-24 at 09:11 +0100, Maik Goette wrote:
> Dear David,
> for my PhD thesis I am working on DNA with GROMACS. You see the problem? ;)
> It seems to be better to use Amber FF for DNA simulations. As I read in 
> the mailing list (1 year ago or so), you are/were working on an AMBER FF 
> implementation into GROMACS. How far are you? Could I obtain it from you?
Other people have been working on this. Anton Feenstra made a converter
from AMBER to GROMACS which requires you to have an AMBER topology. Erik
Lindahl and other people in Stanford have worked on a native
implementation. I don't know what the status of that is.

As an alternative you could try the OPLS force field.

> Regards
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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