[gmx-users] Nanotube simulation

Adrain Zhou adrainzhou at yahoo.com.cn
Tue Mar 1 05:56:25 CET 2005

Dear all,
I am a rookie with force field Molecular dynamics. Is it possible to simulate nanotube in solution phase? It seems that nanotube is not included in the building block of gromos96. I know there is a good LJ potential  for nanotube in gas phase. I am not sure whether I can use this one for solution phase? What should I do step by step? Any suggestions are highly appreciated. 
Many thanks,
With regards,

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