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    On 1/07/2011 5:51 PM, 李浩 wrote:
    <blockquote cite="mid:000001cc37c3$a392f790$eab8e6b0$@com"
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        <p class="MsoPlainText"><span style="font-family: &quot;Times
            New Roman&quot;,&quot;serif&quot;;" lang="EN-US">Hello
            Everyone,<o:p></o:p></span></p>
        <p class="MsoNormal"><span style="font-family: &quot;Times New
            Roman&quot;,&quot;serif&quot;;" lang="EN-US">I am using
            PME(4.05) to calculate the long-rang electrostatic
            interaction, but when I finished the<o:p></o:p></span></p>
        <p class="MsoNormal"><span style="font-family: &quot;Times New
            Roman&quot;,&quot;serif&quot;;" lang="EN-US">Simulation, I
            found that I can’t get the result of energy of the part of </span><span
            style="font-family: 宋体;">“</span><span style="font-family:
            &quot;Times New Roman&quot;,&quot;serif&quot;;" lang="EN-US">fourier
            space</span><span style="font-family: 宋体;">(</span><span
            style="font-family: &quot;Times New
            Roman&quot;,&quot;serif&quot;;" lang="EN-US">long range part</span><span
            style="font-family: 宋体;">)”</span><span style="font-family:
            &quot;Times New Roman&quot;,&quot;serif&quot;;" lang="EN-US">.
            In other word</span><span style="font-family: 宋体;">,</span><span
            style="font-family: &quot;Times New
            Roman&quot;,&quot;serif&quot;;" lang="EN-US">there is only a
            congregation of energy of that named Coul. recip. Is there
            any way that I can get the energy of “group to group” of the
            “fourier space” ?</span></p>
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    </blockquote>
    <br>
    There are many threads on this topic in the archives. Basically, the
    nature of that part of the calculation means that there's no
    convenient way to do this, even if the result would mean anything.<br>
    <br>
    Mark<br>
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