Our minimization ended with a large net force on "atom 0." Since there is no atom 0 in our .gro, .top, or .ndx files, is mdrun re-numbering the atoms in our system according to some scheme, or is this an indication that something very wrong is happening?
-Travis Trudeau, MSc. student at University of Victoria _______________________________________________ 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
