[AMBER] carbon nanotube

From: Neha Gandhi <n.gandhiau.gmail.com>
Date: Thu, 14 Jul 2016 11:18:31 +1000

Dear List,

I am interested in carbon nanotube functionalised with COOH or CH3 groups
on the surface. Can I use amber force fields such as ff14SB or gaff and are
there any modifications required? How to construct the topology files?

Thank you 

-- 
Regards,
Dr. Neha S. Gandhi,
Vice Chancellor's Research Fellow,
Queensland University of Technology,
2 George Street, Brisbane, QLD 4000
Australia
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Received on Wed Jul 13 2016 - 18:30:02 PDT
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