Hi: I have a carbon nanotube (CNT) and several carbonly groups (C=O). Meanwhile the carbonly carbon atoms are part of the CNT. That is to say an oxygen atom is attached to one carbon atom of the CNT to form a carbonyl group. All the carbon atoms are supposed to be fixed, while carbonyl carbon and oxygen atoms are supposed to have bond interactions. I can freeze the rest carbon atoms of the CNT, but how to deal with the carbonly atoms?
Any suggestions are appreciated! Thank you in advance! 2011-05-09 toby10222224
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