How to set the parameters for C60?

From: uu zhu (uuzhuzhu_at_gmail.com)
Date: Thu Apr 16 2009 - 05:06:37 CDT

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Hi, all
For my project, I need to do some simulations on C60. I found that C60 has
two kinds of bond lengths (~1.398 A and ~1.459 A by Gaussian). However,
whatever parameters I set including the charge and bond length et al., each
bond length has nearly the same value.
Does anyone know how to set the parameters of C60? Can you give some
advices?
Thanks.
Best regards,

-- 
WANG
PhD
Division of Bioengineering
School of Chemical & Biomedical Engineering
Nanyang Technological University
Singapore

• Next message: Sebastian Stolzenberg: "Re: Unfavorable anti conformation after GLUP patching?"
• Previous message: Sébastien Légaré: "Re: how to do: FEP e2?, a protonating mutation?"
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