Re: [AMBER] cnts topology

From: Vitaly Chaban <vvchaban.gmail.com>
Date: Thu, 16 Dec 2010 18:18:19 -0500

> I'm trying to build the topology for a carbon nanotube armchair (15,15) of
> about 100 A
> but it's difficult to derive the resp charges for this huge structure.

Do you expect to get non-zero charges for pristine CNT?

--
Dr. Vitaly V. Chaban
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Received on Thu Dec 16 2010 - 15:30:02 PST