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    On 05/11/2011 08:41 AM, Yao Yao wrote:
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            <td style="font: inherit;" valign="top">Hi <span>gmxers</span>,
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              <div>I am just wondering how to give a linking atom's
                coordinates in a qmmm calculation generally.</div>
              <div>Would it be normal to take an arithmetic average of
                two neighboring qmmm-layer-bonding atoms' coordinates?</div>
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    Shouldn't this be addressed in the QM-MM documentation or
    literature? An unweighted arithmetic average sounds like nonsense.<br>
    <br>
    Mark<br>
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