List, Regarding tutorials and tubes. Is/ are their any tutorials that describe how to form a tube, and then add a molecular system within the tube that flows in one end and out the other, continuously?
Thanks. Jim -----Original Message----- From: gmx-users-boun...@gromacs.org [mailto:gmx-users-boun...@gromacs.org] On Behalf Of Mark Abraham Sent: Wednesday, July 29, 2009 7:51 AM To: Discussion list for GROMACS users Subject: Re: [gmx-users] infinite surface Giulio Scocchi wrote: > Hello everybody. > > > > I am a Gromacs beginner, so sorry if this question is trivial and/or I > am not precise. I would like to simulate an infinite surface of graphene > (or any other planar lattice structure). Gromacs supports pbc also in > two directions (as far as I understood) and that would really be perfect > for my purposes but.. in order to have a periodic infinite lattice, I > need to have atoms on one face of the cell being connected to the atoms > on the opposite face. So, how can I do this? Just by modifying the > CONNECT section of the input .pdb file? Will gmx programs understand? J No, GROMACS ignores CONNECT sections. Check out the advice here. http://oldwiki.gromacs.org/index.php/Carbon_Nanotube Mark _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://lists.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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://lists.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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php