[gmx-users] Carbon Nanotube Simulations

Mark Abraham Mark.Abraham at anu.edu.au
Thu Mar 29 04:45:17 CEST 2007

George Abadir wrote:
> Hi, thank you very much for your help.
> I capped the CNT with hydrogen atoms (i.e., I changed the carbon atoms 
> at the ends of the tube into hydrogen atoms), but now I get an error "No
> forcefield type for atom C(1) with 2 bonds" instead of ""No forcefield 
> type for atom C(2) with 1 bonds" ! Is there any way to solve this?

Not without knowing what's wrong with the topology for C1 and C2. That's 
your job :-)


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