OK, Thanks so much Prof. Case.
Sincerely,
Nadaafiva
On Thu, Jan 22, 2015 at 9:13 AM, David A Case <case.biomaps.rutgers.edu>
wrote:
> On Thu, Jan 22, 2015, asdda asa wrote:
> >
> > I am using amber force field (GAFF) to parameterize a ligand. The ligand
> > contain two same moieties attached to different positions. However, the
> > atom types of each atom of the two moiety is not exactly same. There is
> one
> > same carbon atom having different atom type, one carbon is assigned as
> cd,
> > while the other carbon atom was assigned as cc. How can these two
> > different. The two carbon is exactly same.
>
> The atom types cc and cd are mirrors of each other, and will give identical
> behavior. This is discussed at some length (see the discussion related
> to Table 1) in the original GAFF paper (J Comput Chem 25: 1157, 2004).
>
> ....dac
>
>
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Received on Thu Jan 22 2015 - 22:30:04 PST
