[gmx-users] Carbon Nanotube Residue
vvchaban at gmail.com
Fri Jun 20 12:48:44 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.
http://www.gromacs.org/component/option,com_docman/task,doc_details/gid,100/Itemid,26/ for reference
what the topology should like like.
For some time, I was working with the problem of simulating the CNT by means of
GROMACS, and I'll be glad to consult you if you have got any additional
More information about the gromacs.org_gmx-users