There is no C1 and C2 atom in the input PDB file, and the topology file
is not generated because x2top doesn't generate a topology because of
the errors. I don't understand what C (1) and C (2) means but it is not
C1 and C2; I mean not two different types of atoms. The PDB file is
generated simply from tubegen and I defined the residue type in the rtp
file.
Thanks
Mark Abraham wrote:
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 :-)
Mark
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