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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Received on Wed Jul 14 2010 - 11:00:03 PDT
