> 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 > file? > > 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. See also 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 questions. Best, Vitaly _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
