[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.
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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