[gmx-users] question

Alex nedomacho at gmail.com
Tue Jul 24 22:47:48 CEST 2018

Andrew, you do realize that defects in CNTs make them toxic to living 
organisms, right?

That aside, the presence of water inside CNTs depends on their diameter 
and chirality, so it's kind of hard to tell. But if your setup is 
reasonable and you see water getting inside CNTs, that's your answer: 
water will reside inside CNTs. :)


On 7/24/2018 4:51 AM, Andrew Bostick wrote:
> Dear Mark and Alex,
> I want to use CNTs as drug carrier. I think I should consider water
> molecules inside the CNT. Do I think right?
> Best,
> AB

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