> "Fatal error: > Invalid order for directive defaults, file ""ffamber99.itp"", line 4".
This means you've specified an incorrect directory in your .mdp file. Check the 'include' line in your .mdp file and make sure it specifies a directory where ffamber99.itp exists. By default, Gromacs searches the /gromacs/share/top directory, the current working directory, and any directory specified by the 'include' statement. Check to see if ffamber99.itp is in one of those locations. -Justin Justin A. Lemkul Biochemistry Alpha Chi Sigma, AI '04 Virginia Tech _______________________________________________ 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
