Hi:
Thanks. To be clear, you mean what I do is correct for using TIP4P water
model?
Best wishes
Hongbin
On Wed, Jul 14, 2010 at 1:46 PM, case <case.biomaps.rutgers.edu> wrote:
> On Wed, Jul 14, 2010, hong-bin Xie wrote:
>
> > I can use well with TIP3P water model in my calculation. However, there
> are
> > some warnings when I used TIP4P ( please see the following part). Is
> there
> > any body would like to help me.
> >
> >
> > ------- .R<WAT 1380>.A<EPW 4> and .R<WAT 1380>.A<O 1>
> > WARNING: There is a bond of 0.150226 angstroms between:
>
> These are normal for TIP4P, but would be abnormal for a molecule without
> "extra points".
>
> ....dac
>
>
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--
Best Wishes
Sincerely Yours
Hong-bin Xie
---------------------------------------------------------------
Hong-bin Xie
Postdoctoral Researcher
Department of Chemical Engineering
University of Pittsburgh
Email:xhbxhb1980224.gmail.com <Email%3Axhbxhb1980224.gmail.com>
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Received on Wed Jul 14 2010 - 11:00:04 PDT
