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On 13/02/2012 5:54 PM, Payman Pirzadeh wrote:
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<p class="MsoNormal"><span
style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D">Hello,<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size: 11pt; font-family:
"Calibri","sans-serif"; color: rgb(31,
73, 125);">I am trying to calculate the RDF of water next to
surface of certain residues. I used the an index file which
includes the residues as the first group, and the #12 option
(SOL) in the g_rdf, and used the option ‘–surf res’ on the
prompt.</span></p>
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<br>
Please supply the actual command line copied and pasted, as well as
which groups you specified and what they contain. The information
above is confusing.<br>
<br>
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<p class="MsoNormal"><span style="font-size: 11pt; font-family:
"Calibri","sans-serif"; color: rgb(31,
73, 125);"> However, the calculated RDF rises up to 41000 in
long distances. It appears that it is normalized (as
specified by the help). How can I normalize this function?</span></p>
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<br>
If it's already normalized, what do you want to do? 41000 is what
quantity?<br>
<br>
Mark<br>
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