[gmx-users] GAFF

[MAKOTO ISHIKAWA]

Dear David,

I'd like to simiulate small molecules MD.
However, It is difficult to assign atom type, etc.
Actually PRODRG is useful.
But it is limited to assign atom type.
In amber homepage, I found GAFF.
I know AMBER/FF for GROMACS.
But I cannot find GAFF for GROMACS. 
GAFF has parameters for almost all the organic molecules.
So I find GAFF for GROMACS.

MAKOTO ISHIKAWA


> -----Original Message-----
> From: David van der Spoel [mailto:spoel at xray.bmc.uu.se] 
> Sent: Wednesday, March 15, 2006 4:54 PM
> To: isikawam at nissanchem.co.jp; Discussion list for GROMACS users
> Subject: Re: [gmx-users] GAFF
> 
> 
> 日産化学　石川誠 wrote:
> > Hi all,
> > 
> > I'm searching forecefield for a small molecule.
> > Dose anyone know how to get GAFF for GROMACS?
> > 
> more info please
> 
> > Thank you for your time.
> > 
> > MAKOTO ISHIKAWA
> > 
> > 
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> 
> -- 
> David.
> ______________________________________________________________
> __________
> 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://folding.bmc.uu.se
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>