[gmx-users] determine surface tension on carbon nanotube

kordzadeh at aut.ac.ir kordzadeh at aut.ac.ir
Sat Dec 9 04:42:03 CET 2017


I want to determine surface tension of carbon nanotube, I read in manual that the interface must be parallell to x-y plane but in CNT we have a cylindrical interface.

I have two system

1-CNT in water

2- CNT and polyethylene glycol(PEG) , 

How can I determine that I want surface tension in interface polymer and carbon nanotube?

Any suggestion will be appreciated.

Thank you very much



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