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
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?
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
If you look at the pre-processing page on the LAMMPS web site:
http://lammps.sandia.gov/prepost.htmlit 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:
http://lammps.sandia.gov/threads/msg35286.html
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
http://www.moltemplate.org/images/nanotube+water/nanotube+walls+water_side_pbc_t=0ps_LR.jpg
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.