nanotubes in LAMMPS

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1

Dear LAMMPS users,
Hi,

Being an MS. student, working on carbon nanotubes, wonder how I can
make my data file. Is there any spacial format to introduce a
nanotubes in LAMMPS or I have to consider my carbon atoms one by one?

Thanks,
Regards,
Najafi

2

Dear LAMMPS users,
Hi,

Being an MS. student, working on carbon nanotubes, wonder how I can
make my data file. Is there any spacial format to introduce a
nanotubes in LAMMPS or I have to consider my carbon atoms one by one?

you can easily answer this question by yourself, if you spend just a
tiny bit of time searching through the mailing list archives or stick
terms like "lammps carbon nanotube data file" into a search engine.
you will very likely find multiple recommendations and i am certain at
least one of them does exactly what you need.

axel.

3

Hi Najafi,

You have to have a data file with the information about all of the atoms. There are tools that can help you to build such a datafile- an example would be Moltemplate (http://www.moltemplate.org/).

4

Well! u can create lammps format file with the help of topotools provided in VMD.

Moreover u can use NanoEngineer to generate coordinate files of CNTs for LAMMPS.