You might try changing the atom type to CA (sp2 aromatic carbon). Others have argued that a nanotube carbon is fairly rigid and comprised of just aromatic like carbons (Rink, et.al. Chem Phys 327 98-104 (2006) and others). But how you approach this depends on what you want to know and how important it is to have good force field parameters.
Pete
>>> On 2/27/2009 at 9:20 AM, in message <20622778.549641235744417408.JavaMail.coremail.bj163app78.163.com>, nancy4619 <nancy4619.163.com> wrote:
I have renamed C atoms C1 ,C2... but I can't produce .top and .crd file too. I have searched on google "nanotubes Amber",but no useful answer ,if you can ,can you give me an explicit explanation?
Nancy
?
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Received on Sat Feb 28 2009 - 08:48:02 PST
