Dear Mark Abraham you said me For neutralization of system and understanding the number of ions with opposition (pr + dna), pdb2gmx or grompp will probably report net charges if non-zero.
what file exactly reports net charge?
_______________________________________________ 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
