I have used a disaccharides with 06 force field with amber10. Actually,
Now, I want to use that force filed with with amber12.
Is it possilble ?
Again, I tried to save the prmtop file with both 06 and 06h, I have found
no change in charge.
Is it will change the other like bond, dihedral ete ?
thanking you
subrata
On Thu, Dec 27, 2012 at 12:53 PM, Lachele Foley (Lists)
<lf.list.gmail.com>wrote:
> Sorry I didn't answer earlier at the other address. Deadlines, plumbing,
> etc...
>
> There are differences between 06 and 06h. In fact, there is now an
> 06h-1. The latter might be important if you have a glycan attached to
> a protein. To understand the changes, you would need to read the
> documentation for all the releases in between. The docs are all here:
> glycam.org/params
>
> If a PDB worked for 06, it should work for 06h.
>
> The changes would be in the force field. In most situations, 06h (and
> 06h-1) should perform better than earlier versions.
>
>
>
> On Thu, Dec 27, 2012 at 1:10 AM, Subrata Paul <paul.subrata34.gmail.com>
> wrote:
> > Dear, Sir/Maam
> >
> > Previously, We are using GLYCAM_06 force field for a carbohydrate with
> > AMBER10,
> > but Now I want to use AMBER12, which have GLYCAM_06h.
> >
> > 1. Is there any difference between GLYCAM_06 and GLYCAM_06h?
> >
> > 2. Can we use that same PDB for carbohydrate with GLYCAM_06h in AMBER12?
> >
> > 3. Is it make some changes to the molecule?
> >
> > Wishing you a very Christmas
> > Subrata
> >
> > --
> > *With Best Regards
> > Subrata
> > PhD Student
> > Dept of Chemistry.
> > IIT G
> > *
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
>
>
>
> --
> :-) Lachele
> Lachele Foley
> CCRC/UGA
> Athens, GA USA
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
*With Best Regards
Subrata
PhD Student
Dept of Chemistry.
IIT G
*
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Received on Thu Dec 27 2012 - 03:30:04 PST
