<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:Courier New,courier,monaco,monospace,sans-serif;font-size:10pt"><div><span style="font-family: tahoma,new york,times,serif;">On </span><font style="font-family: tahoma,new york,times,serif;" face="Tahoma" size="2">Mon, August 23, 2010 12:12 PM, </font><font face="Tahoma" size="2"><span style="font-family: tahoma,new york,times,serif;">Eudes Fileti <fileti@ufabc.edu.br> wrote:</span><br></font></div><div><font size="2">> Well, the line 40 is just one of the 36 parameters not found!</font></div><div><font size="2">> In this link ( <a rel="nofollow" target="_blank" href="https://sites.google.com/site/fileti/">https://sites.google.com/site/fileti/</a> ) I put<br>> the complete files. </font></div>
<div><font size="2">> I know I need to determine which bond type should be called<br>> and I believe that it has been done, but I don't know why<br>> it's not being found.</font></div><div><font size="2"><br><span style="font-family: Courier New,courier,monaco,monospace,sans-serif;">Well, I'm not Justin, but as I look at your topology, I see<br>that you have a bond from atom 3, type CC322, to atom 6,<br>also type CC322. However, when I look at the parameters you<br>give in the bondtypes section, I cannot find a</span></font> CC322 CC322<br>bond defined. Either the entry is missing or you did not<br>post a complete set of force field entries.<br><br>Missing entries might be the cause of the other parameters<br>not found as well, which is what was suggested to you<br>previously.<br><br><br>-- <br></div>Bruce D. Ray, Ph.D.<br>Associate Scientist<br>IUPUI<br>Physics Dept.<br>402 N. Blackford St.<br>Indianapolis, IN 46202-3273<div
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