Hi, I have developed a co-ordinate file for Argon atoms bounded by wall atoms with properties same as Argon. When I am doing the energy minimization, it shows a max. force equal to inf. on a certain atom. This is for the case when I am using "simple" in the neighbour search, when I use "grid" it give a "Range checking error". I would be thankful if somebody could suggest where I am going wrong. Is there a problem with the co-ordinate file? Thanks, Manik
-- _________________ HAPAX LEGOMENA
_______________________________________________ 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
