Help in cnt data file

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1

Hi
Dear axel
I want to simulate cnt <10 , 10> with 30 nanometers lengh and I want to get bonds between atoms,how I can do this?!
Please help me
Tnx

2

Hi
Dear axel
I want to simulate cnt <10 , 10> with 30 nanometers lengh and I want to get
bonds between atoms,how I can do this?!

...and i want a pony for christmas. how do i get one?

3

If you look at the pre-processing page on the LAMMPS web site:
http://lammps.sandia.gov/prepost.html

it has links to several tools that help build molecular systems,
as inputs to LAMMPS.

Steve

4

If you look at the pre-processing page on the LAMMPS web site:
LAMMPS Molecular Dynamics Simulator

it has links to several tools that help build molecular systems,
as inputs to LAMMPS.

Steve

Take a look at "Nanostructure Builder Plugin"
by Robert R. Johnson, Axel Kohlmeyer

There was a discussion about it here:

www.ks.uiuc.edu/Research/vmd/plugins/nanotube/

---moltemplate---

Zig-zag nanotubes (lacking explicit bonds) are easy to make in moltemplate.
http://www.moltemplate.org/examples/nanotube+water/nanotube.lt
http://www.moltemplate.org/examples/nanotube+water/graphene.lt

Nanotubes with other (chiral) orientations might have jagged pointy
ends, but there are ways of dealing with that.
http://www.moltemplate.org/examples/nanotube+water/chiral_nanotubes.html

Andrew

P.S. If the nanotube is infinitely long and uses periodic boundary
conditions, then the pointy ends can be chosen to complement
each-other so that the two ends join seamlessly. For finite-length
tubes you can delete the atoms in the pointy ends manually using the
"delete" command.