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    On 9/05/2011 10:55 PM, toby10222224 wrote:
    <blockquote cite="mid:201105092055559118794@sina.com" type="cite">
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      <div><font color="#000080" face="Verdana" size="2">I intend to
          apply an electric filed on the whole system and the possitive
          oxygen will be certainly affected.</font></div>
    </blockquote>
    <br>
    Please give full descriptions the first time... otherwise everyone's
    time gets wasted.<br>
    <br>
    Under such a field, surely the carbonyl carbon atoms will also be
    affected - if the oxygen has a partial charge to be affected by the
    field, so must the carbon. Whether or not the other carbon atoms are
    charged, they'll be affected through the bonds to the first carbon.
    A rigid CNT seems to make little sense here.<br>
    <br>
    Mark<br>
    &nbsp;<br>
    <blockquote cite="mid:201105092055559118794@sina.com" type="cite">
      <div><font color="#c0c0c0" face="Verdana" size="2">2011-05-09 </font></div>
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      <div><font color="#c0c0c0" face="Verdana" size="2"><span>toby10222224</span>
        </font></div>
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      <div><font face="Verdana" size="2">
        </font><font face="Verdana" size="2">Message:&nbsp;5</font></div>
      <div>
        <div><font face="Verdana" size="2">Date:&nbsp;Mon,&nbsp;09&nbsp;May&nbsp;2011&nbsp;22:38:48&nbsp;+1000</font></div>
        <div><font face="Verdana" size="2">From:&nbsp;Mark&nbsp;Abraham&nbsp;<a class="moz-txt-link-rfc2396E" href="mailto:Mark.Abraham@anu.edu.au">&lt;Mark.Abraham@anu.edu.au&gt;</a></font></div>
        <div><font face="Verdana" size="2">Subject:&nbsp;Re:&nbsp;[gmx-users]&nbsp;freeze&nbsp;the&nbsp;carbonyl&nbsp;carbon&nbsp;atoms</font></div>
        <div><font face="Verdana" size="2">To:&nbsp;Discussion&nbsp;list&nbsp;for&nbsp;GROMACS&nbsp;users&nbsp;<a class="moz-txt-link-rfc2396E" href="mailto:gmx-users@gromacs.org">&lt;gmx-users@gromacs.org&gt;</a></font></div>
        <div><font face="Verdana" size="2">Message-ID:&nbsp;<a class="moz-txt-link-rfc2396E" href="mailto:4DC7E058.10501@anu.edu.au">&lt;4DC7E058.10501@anu.edu.au&gt;</a></font></div>
        <div><font face="Verdana" size="2">Content-Type:&nbsp;text/plain;&nbsp;charset="iso-8859-1"</font></div>
        <div><font face="Verdana" size="2">On&nbsp;9/05/2011&nbsp;5:23&nbsp;PM,&nbsp;toby10222224&nbsp;wrote:</font></div>
        <div><font face="Verdana" size="2">&gt;&nbsp;Hi:</font></div>
        <div><font face="Verdana" size="2">&gt;&nbsp;I&nbsp;have&nbsp;a&nbsp;carbon&nbsp;nanotube&nbsp;(CNT)&nbsp;and&nbsp;several&nbsp;carbonly&nbsp;groups&nbsp;(C=O).&nbsp;</font></div>
        <div><font face="Verdana" size="2">&gt;&nbsp;Meanwhile&nbsp;the&nbsp;carbonly&nbsp;carbon&nbsp;atoms&nbsp;are&nbsp;part&nbsp;of&nbsp;the&nbsp;CNT.&nbsp;That&nbsp;is&nbsp;to&nbsp;</font></div>
        <div><font face="Verdana" size="2">&gt;&nbsp;say&nbsp;an&nbsp;oxygen&nbsp;atom&nbsp;is&nbsp;attached&nbsp;to&nbsp;one&nbsp;carbon&nbsp;atom&nbsp;of&nbsp;the&nbsp;CNT&nbsp;to&nbsp;form&nbsp;a&nbsp;</font></div>
        <div><font face="Verdana" size="2">&gt;&nbsp;carbonyl&nbsp;group.&nbsp;All&nbsp;the&nbsp;carbon&nbsp;atoms&nbsp;are&nbsp;supposed&nbsp;to&nbsp;be&nbsp;fixed,&nbsp;while&nbsp;</font></div>
        <div><font face="Verdana" size="2">&gt;&nbsp;carbonyl&nbsp;carbon&nbsp;and&nbsp;oxygen&nbsp;atoms&nbsp;are&nbsp;supposed&nbsp;to&nbsp;have&nbsp;bond&nbsp;</font></div>
        <div><font face="Verdana" size="2">&gt;&nbsp;interactions.&nbsp;I&nbsp;can&nbsp;freeze&nbsp;the&nbsp;rest&nbsp;carbon&nbsp;atoms&nbsp;of&nbsp;the&nbsp;CNT,&nbsp;but&nbsp;how&nbsp;</font></div>
        <div><font face="Verdana" size="2">&gt;&nbsp;to&nbsp;deal&nbsp;with&nbsp;the&nbsp;carbonly&nbsp;atoms?</font></div>
        <div><font face="Verdana" size="2">Well&nbsp;if&nbsp;you're&nbsp;prepared&nbsp;to&nbsp;model&nbsp;the&nbsp;CNT&nbsp;frozen,&nbsp;why&nbsp;not&nbsp;freeze&nbsp;the&nbsp;</font></div>
        <div><font face="Verdana" size="2">oxygen&nbsp;bound&nbsp;to&nbsp;it?&nbsp;Anything&nbsp;else&nbsp;sounds&nbsp;like&nbsp;a&nbsp;recipe&nbsp;for&nbsp;more&nbsp;trouble.</font></div>
        <div><font face="Verdana" size="2">Mark</font></div>
        <div><font face="Verdana" size="2">--------------&nbsp;next&nbsp;part&nbsp;--------------</font></div>
        <div><font face="Verdana" size="2">An&nbsp;HTML&nbsp;attachment&nbsp;was&nbsp;scrubbed...</font></div>
        <div><font face="Verdana" size="2">URL:&nbsp;<a class="moz-txt-link-freetext" href="http://lists.gromacs.org/pipermail/gmx-users/attachments/20110509/1fa0aa57/attachment-0001.html">http://lists.gromacs.org/pipermail/gmx-users/attachments/20110509/1fa0aa57/attachment-0001.html</a></font></div>
        <div><font face="Verdana" size="2">------------------------------</font></div>
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