[lammps-users] carbon nanotube simulation

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1

hi lammps-users

i am a beginner in lammps. i am trying to study carbon nanotubes using lammps. can anyone tell me how to create initial coordinates file for carbon nanotubes?
thanking you in advance

unni

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Dear Unni

You can create a PDB file of carbon nanotube in this site.
http://www.ugr.es/~gmdm/java/contub/contub.html
then use this file to create data file for LAMMPS.
Of course, You will need to install Java.

Farrokh

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Or if U want to use fortran check out

https://nanohub.org/tools/cntbands-ext/browser/trunk/src/fortran/maketube.f?rev=2

Manoj