Hi all, I am simulating 3 graphite slabs and I just want to charge one of them . I edited the .itp file for the graphite slabs and I add some charges (negative charges). My problem is that I don't know how to specify that these charges just belong to the first layer of three layers. I was thinking may be I can categorized the slabs graphite molecules with make_ndx in 3 different groups and I don't know what to do next.
So I appreciate if anybody can help me , Regards, Shaqa _______________________________________________ gmx-users mailing list [email protected] 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
