Is am-bcc method better than resp or qeq? Thank you for your advice..
On Nov 15, 2011 5:22 PM, "Dr. Vitaly V. Chaban" <vvchaban.gmail.com> wrote:
> I mean QEq below...
>
>
> > If you have delocalized charge density, is expected to fail.
> >
> > --
> > Dr. Vitaly V. Chaban, 430 Hutchison Hall, Chem. Dept.
> > Univ. Rochester, Rochester, New York 14627-0216
> > THE UNITED STATES OF AMERICA
> >
> >
> > On Tue, Nov 15, 2011 at 3:27 PM, Changwoo Do <dokira.gmail.com> wrote:
> >> Hi all,
> >>
> >> If I use QEq method for charge calculation for my polymer and run
> >> MD-simulation, would it be wrong? or would it be compeletely different
> >> from the RESP charge method?
> >>
> >> Thank you
> >
>
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Received on Tue Nov 15 2011 - 15:00:02 PST
