No, I haven't found any... could you point me in the right direction?<br><br>Thanks much!<br>-Adam<br><br><div class="gmail_quote">On Dec 5, 2007 6:04 PM, Dallas B. Warren <<a href="mailto:Dallas.Warren@vcp.monash.edu.au">
Dallas.Warren@vcp.monash.edu.au</a>> wrote:<br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
<div>
<div dir="ltr" align="left"><span><font color="#0000ff" face="Arial" size="2">Have you looked at the information / forcefields for
carbon nanotubes?</font></span></div>
<div> </div>
<p><font size="2">Catch ya,<br><br>Dr. Dallas Warren<br>Lecturer<br>Department of
Pharmaceutical Biology and Pharmacology<br>Victorian College of Pharmacy, Monash
University<br>381 Royal Parade, Parkville VIC
3010<br><a href="mailto:dallas.warren@vcp.monash.edu.au" target="_blank">dallas.warren@vcp.monash.edu.au</a><br>+61 3 9903
9524<br>---------------------------------<br>When the only tool you own is a
hammer, every problem begins to resemble a nail.</font> </p>
<div> </div><br>
<blockquote style="border-left: 2px solid rgb(0, 0, 255); padding-left: 5px; margin-left: 5px; margin-right: 0px;">
<div dir="ltr" align="left" lang="en-us">
<hr>
<font face="Tahoma" size="2"><b>From:</b> <a href="mailto:gmx-users-bounces@gromacs.org" target="_blank">gmx-users-bounces@gromacs.org</a>
[mailto:<a href="mailto:gmx-users-bounces@gromacs.org" target="_blank">gmx-users-bounces@gromacs.org</a>] <b>On Behalf Of </b>Adam
Fraser<br><b>Sent:</b> Thursday, 6 December 2007 5:17 AM<br><b>To:</b>
Discussion list for GROMACS users<br><b>Subject:</b> [gmx-users] fullerene
topology<br></font><br></div><div><div></div><div class="Wj3C7c">
<div></div>I'm trying to either build or find topology files for buckminster
fullerene (C60).<br><br>Does anyone know where I could find such
files?<br><br>If not, does anyone know of literature that would help me build
C60?<br><br>I already have a pdb of the structure... I just need accurate
partial charges to build the topology file with. Even then, I'm not
confident in how well this will model fullerene because I just read
this:<br><br>
<div style="margin-left: 40px;">"C60 has a tendency of avoiding having double
bonds within the <br>pentagonal rings which makes electron delocalisation
poor, and <br>results in the fact that C60 is not "superaromatic". C60
behaves <br>very much like an electron deficient alkene..."<br>source: <a href="http://www.ch.ic.ac.uk/local/projects/unwin/Fullerenes.html" target="_blank">http://www.ch.ic.ac.uk/local/projects/unwin/Fullerenes.html
</a><br></div><br>I
greatly appreciate any help offered,<br>thank you,<br>Adam
</div></div></blockquote></div>
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