> I want to put charge (as pi density) on each carbon atom at 1 A top and > below of each carbon atom of graphaite sheet. Basically I want put a atom, > X, with charge -0.5 and mass 0 at 0.5 A below and above the carbon atom. > > How can I do this? > Thanks > Nilesh
Hi Nilesh, Looks interesting. How did you estimate this charge of -0.5 ? Dummy atoms in gromacs should be useful to do what you want. ~Vitaly -- Dr. Vitaly Chaban -- 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
