[gmx-users] Re: Amber 2 gmx

[David]

On Thu, 2002-06-27 at 12:24, Anton Feenstra wrote:
> Patrick Ladam wrote:
> > 
> > Hello Anton,
> > 
> > I am trying to get GMX do some MD upon a 20mer DNA. It works excepted I can't
> > get the hydrogens to be considered correctly (they spread away as soon as I do a simple
> > minimisation). I tried different FF with no success. Actually I use NMR distance restraints
> > and I really need these hydrogens. Did you do such calculations successfully?
A quick solution would be to use OPLS in gromacs 3.1.4

(Of course we still want Amber to compare with...).
-- 
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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