[gmx-users] Nanotube simulation

Ignacio Rodriguez Fernandez irf at soton.ac.uk
Mon Mar 14 16:15:14 CET 2005

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


Ignacio Rodriguez Fernandez

Computational Engineering & Design Research Group
School of Engineering Sciences
University of Southampton
Southampton SO17 1BJ
United Kingdom

Location: Building 25, room 1035
Phone: +44 (0) 23 8059 3637
email: irf at soton.ac.uk

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