[gmx-users] Nanotube simulation

[Adrain Zhou]

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,
Adrain  



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