Thanks for the reply
Nicee.
>> If you add ions after adding water molecules, your ions will be
>> mostly placed near the boundary of the periodic box.
>
> This is not correct, unless someone has rewritten this function.
> Ions will be placed as close as if they were placed first, except
> the nearest water will be removed and the ion placed there.
>
> Place ions first, and more waters will be removed due to partial
> overlaps.
>
> Bill
>
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Received on Sun Mar 14 2010 - 21:30:03 PDT
