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On 7/11/2010 9:36 PM, leila karami wrote:
<blockquote
cite="mid:AANLkTike9Vn7ER_ySMyzFpnsPQtmHAVN0bng7Wn-NHxO@mail.gmail.com"
type="cite">
<p class="MsoNormal" style="margin-bottom: 0.0001pt; text-align:
justify;"><span style="font-family: "Times New
Roman","serif";">Dear Mark</span></p>
<p class="MsoNormal" style="margin-bottom: 0.0001pt; text-align:
justify;"><span style="font-family: "Times New
Roman","serif";"><br>
</span></p>
<p class="MsoNormal" style="margin-bottom: 0.0001pt; text-align:
justify;">
<span style="font-family: "Times New
Roman","serif";">thanks for your attention. <br>
</span></p>
<pre><span style="font-size: 11pt; font-family: "Times New Roman","serif";">I read manual before. I know that g_hbond is for hydrogen bond analysis. But I don’t know about Van der Waals interactions analysis and how to obtain percentage of them.</span></pre>
</blockquote>
<br>
If you're planning to copy someone else's analysis, then you should
be able to do so from their description. That's why they wrote the
paper... If they don't make a description, either email them to ask,
or choose someone else to copy :-). Unfortunately, "van der Waals
interactions analysis" is far too vague to be a useful target
question. As your email pointed out, there's a bunch of mathematical
parameters that go into assigning hydrogen bonds for any analysis
there... Something similar would have to apply to vdW, and the
procedure for finding that out will often lead you towards a good
method for implementing it.<br>
<br>
Mark<br>
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