Hi It is the water-molecule system. For a molecule, like R-N(CH3)3-Br, I could make a pdb file either include Br ion or exclude Br ion.
If I exclude Br ion, I have to make Br ion as the counter ion for my system. If I include Br ion, I do NOT have to make Br ion as the counter ion since it will automatically become the counter ion. Am I right? Thank you Lin _______________________________________________ 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
