[gmx-users] determine surface tension on carbon nanotube

azadeh kordzadeh azadehkordzadeh at gmail.com
Fri Dec 8 16:31:12 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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