[gmx-users] Nanotube simulation

[Ignacio Rodriguez Fernandez]

Hi all,

Is there anywhere I can find the residue types for a carbon nanotube?

Has anybody built a PDB file for a carbon nanotube that GROMACS can read?

In NAMD the residue type is "ARM" ( obtained at
http://www.ks.uiuc.edu/Training/Tutorials/#nanotubes ) , but GROMACS does
not recognize it!

It neither understands the type "UNK" (unknown) created by the program
"tubegen": http://deaddog.duch.udel.edu/~frey/research/tubegenonline.html

Thanks.

--
Ignacio Rodriguez Fernandez

Computational Engineering & Design Research Group
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