I used the Amber/Glycam input configurator
tool<
http://glycam.ccrc.uga.edu/AMBER>(
http://glycam.ccrc.uga.edu/AMBER/) and obtained a topology file for the
sucrose molecule. However, I have to simulate the sucrose in the presence of
another molecule, so the topology file of the sucrose by itself will not do.
Maybe there is a way of using the topology file in order to obtain the lib
and frcmod files for the sucrose "residue", but I ignore it.
- Jose
On Tue, Nov 23, 2010 at 8:07 PM, Lachele Foley (Lists) <lf.list.gmail.com>wrote:
> If you plan to use GLYCAM (and you probably should), there isn't a
> specific frcmod or lib.
>
> See the section in the AmberTools manual on building oligosaccharides.
> Is this Amber 11 or a previous version?
>
>
> On Tue, Nov 23, 2010 at 5:56 PM, Jose Borreguero <borreguero.gmail.com>
> wrote:
> > Dear Amber users,
> >
> > Has anybody used the lib and frcmod files for sucrose ? I can't find them
> > anywhere.
> >
> > Best regards
> > Jose M. Borreguero
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
>
>
> --
> :-) Lachele
> Lachele Foley
> CCRC/UGA
> Athens, GA USA
>
> _______________________________________________
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> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Tue Nov 23 2010 - 17:30:04 PST
