Hello everyone,
I’m wondering if anybody knows of ways of generating the initial positions of the atoms and bonds in a carbon nanotube for an MD simulation.
thanks
Jaime
Hello everyone,
I’m wondering if anybody knows of ways of generating the initial positions of the atoms and bonds in a carbon nanotube for an MD simulation.
thanks
Jaime
There are probably PDB files of C nanotubes around, which could
be converted to LAMMPS input.
Steve
Hello everyone,
I'm wondering if anybody knows of ways of generating the initial positions
of the atoms and bonds in a carbon nanotube for an MD simulation.
google is your friend!
have you checked out?
http://turin.nss.udel.edu/research/tubegenonline.html
cheers,
axel.
Thanks for the inputs. I found what I was looking for
Jaime