[gmx-users] Carbon Nanotube Simulations
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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