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<p class="MsoPlainText"><span style="font-family: &quot;Courier New&quot;;"><br></span></p><p class="MsoPlainText"><span style="font-family: &quot;Courier New&quot;;">Hi</span></p><p class="MsoPlainText"><span style="font-family: &quot;Courier New&quot;;">I found this improper dihedral angle type<br>
</span></p><p class="MsoPlainText"><span style="font-family: &quot;Courier New&quot;;">#define gi_2<span style="">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span>35.26439<span style="">&nbsp;&nbsp;
</span>334.84617<br>
; tetrahedral centres<span style="">&nbsp;&nbsp; </span>80<span style="">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;</span></span></p><p class="MsoPlainText"><br></p><p class="MsoPlainText"><br></p><p class="MsoPlainText">for -N-(CH3)3-&nbsp; group</p><p class="MsoPlainText">
<br></p><p class="MsoPlainText">and in my .top file</p><p class="MsoPlainText"><br></p><p class="MsoPlainText">[dihedrals]</p><p class="MsoPlainText">; ai&nbsp;&nbsp;&nbsp;&nbsp; aj&nbsp;&nbsp;&nbsp;&nbsp; ak&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; al&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; funct<br></p><p class="MsoPlainText">
&nbsp; N&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; CH3 &nbsp;&nbsp; CH3&nbsp;&nbsp;&nbsp;&nbsp; CH3 &nbsp;&nbsp; 2 &nbsp;&nbsp;&nbsp; gi_2</p><p class="MsoPlainText"><br></p><p class="MsoPlainText">Is this right?</p><p class="MsoPlainText"><br></p><p class="MsoPlainText">Thank you</p><p class="MsoPlainText">Lin<br></p>
<p class="MsoPlainText"><br></p><p class="MsoPlainText"><br></p><p class="MsoPlainText"> <br></p><p class="MsoPlainText"><br></p><p class="MsoPlainText"><br><span style="font-family: &quot;Courier New&quot;;"></span></p><p class="MsoPlainText">
<span style="font-family: &quot;Courier New&quot;;"><br>
</span></p>

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