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<p class="MsoNormal"><span style="color:#4472C4">Dear Gromacs developers,<o:p></o:p></span></p>
<p class="MsoNormal"><span style="color:#4472C4"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="color:#4472C4">I’m trying to understand how Gromacs distribute self-term (Ewald self-correction) into
<b>Coulomb (SR)</b> and <b>Coul. recip.</b> using Ewald/PME method. Is it only in Coulomb (SR) alone or also separated into reciprocal part?<o:p></o:p></span></p>
<p class="MsoNormal"><span style="color:#4472C4"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="color:#4472C4">If possible, can anyone point me to the code where the short-range coulomb energy & Ewald self-correction term are calculated?<o:p></o:p></span></p>
<p class="MsoNormal"><span style="color:#4472C4"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="color:#4472C4">Thanks,<o:p></o:p></span></p>
<p class="MsoNormal"><span style="color:#4472C4"> <o:p></o:p></span></p>
<p class="MsoNormal"><span style="color:#4472C4">Ying<o:p></o:p></span></p>
<p class="MsoNormal"><span style="color:#4472C4"> <o:p></o:p></span></p>
<p class="MsoNormal"><span style="color:#4472C4">———————————<o:p></o:p></span></p>
<p class="MsoNormal"><span style="color:#4472C4">Ying Yang<o:p></o:p></span></p>
<p class="MsoNormal"><span style="color:#4472C4">Ph.D. Candidate<o:p></o:p></span></p>
<p class="MsoNormal"><span style="color:#4472C4"> <o:p></o:p></span></p>
<p class="MsoNormal"><span style="color:#4472C4">Office: RHPH 504A<o:p></o:p></span></p>
<p class="MsoNormal"><span style="color:#4472C4">Medicinal Chemistry & Molecular Pharmacology<o:p></o:p></span></p>
<p class="MsoNormal"><span style="color:#4472C4">College of Pharmacy<o:p></o:p></span></p>
<p class="MsoNormal"><span style="color:#4472C4">Purdue University<o:p></o:p></span></p>
<p class="MsoNormal"><span style="color:#4472C4"> </span><span style="color:#4472C4"><o:p></o:p></span></p>
<p class="MsoNormal"><span style="color:#4472C4"><o:p> </o:p></span></p>
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