Depicts multiple MD simulations of a double walled carbon nanotube, (8,8) inner tube with a (12,12) outer tube, using Tersoff and LJ potentials.
Laboratory of Atomic Molecular Mechanics, Department of Civil and Environmental Engineering, M.I.T.
http://web.mit.edu/mbuehler/www/
Atomistic simulation using LAMMPS
http://lammps.sandia.gov/
Movie made using VMD
http://www.ks.uiuc.edu/Research/vmd/
Contact: cranford@mit.edu
Jan. 2009
NAMD is not the only way, GROMACS is free, has very good forcefields, and since so many people use it, you will find a whole lot of help on the internet. Good luck.
shurakbh 2 years ago
Hi Im currently writing out a thesis on Buckling of CNT.
I have come to find the best way to get results for my thesis is to use MD-simulation software.
Problem; Ive tried to use NAMD, but to be truthful I have no idea what i am doing.
If you may be of assistance that would be great and very helpful, as I am running out of time in presenting some initial results.
Please give me some guides on what i need and how to get it.
Thank you.
sniperlogicco 2 years ago