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    <div class="moz-cite-prefix">Hi,<br>
      <br>
      Note that most of the code in long_range_corrections.cpp is nearly
      obsolete legacy code. In most cases the self correction and
      excusion correction are computed along with the short-range pair
      interactions in one of the many non-bonded kernels.<br>
      <br>
      Cheers,<br>
      <br>
      Berk<br>
      <br>
      On 08/18/2017 03:13 AM, Dhruva Kulkarni wrote:<br>
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              <div>Never mind, found it.<br>
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              It is in "long_range_corrections.cpp" in the ewald folder.<br>
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            Thanks!<br>
          </div>
          Regards,<br>
        </div>
        Dhruva<br>
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      <div class="gmail_extra"><br>
        <div class="gmail_quote">On Thu, Aug 17, 2017 at 3:11 PM, Dhruva
          Kulkarni <span dir="ltr">&lt;<a moz-do-not-send="true"
              href="mailto:dkulkar@g.clemson.edu" target="_blank">dkulkar@g.clemson.edu</a>&gt;</span>
          wrote:<br>
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                      <div>Dear all,<br>
                        <br>
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                      I am new to the GROMACS code (and MD in general)
                      and interested in understanding the EWALD
                      summation. I am looking at the 2016.3 version
                      codebase at ewald.cpp under the folder "ewald". <br>
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                    <br>
                    I see the k-space sum being performed in "do_ewald"
                    and energy is stored in energy_AB[0] for the non
                    free-energy case. (ewald.cpp, line 250)<br>
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                  <br>
                  I was hoping someone could help point out:<br>
                  1. Where the reals space term is being calculated<br>
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                2. Where the exclusions "self term and another
                "intra-molecular" term" are being computed/subtracted<br>
                <br>
              </div>
              <div>I appreciate any opinions on this matter!<br>
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                Thanks!<br>
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                            class="m_-3648236288042220740gmail_signature"
                            data-smartmail="gmail_signature">Regards,<br>
                            Dhruva Kulkarni</div>
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        <br>
        -- <br>
        <div class="gmail_signature" data-smartmail="gmail_signature">Regards,<br>
          Dhruva Kulkarni</div>
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