[gmx-users] Carbon Nanotube Residue

jolander at rci.rutgers.edu jolander at rci.rutgers.edu
Fri Jun 20 00:14:03 CEST 2008

I'm new to gromacs and the past week or so I've been digging through the
archives so that I can simulate a carbon nanotube. I've been able find
coordinates for the carbon nanotube as well as the parameters for the
force field. My question is:

Do I define the parameters in the force field file or can I do it in pdb

I'm asking because I'm unable to change the force field file, so if I
could just define the carbon nano tube residue in the pdb file that would
help me out a lot.



More information about the gromacs.org_gmx-users mailing list