> I installed ffamber ports for gromacs, generated gro and topology > files for a DNA structure with pdb2gmx, a box with editconf and added > solvation with genbox. When I try to run grompp i obtain these errors: > > > checking input for internal consistency... > calling cpp -traditional... > processing topology... > Generated 2628 of the 2628 non-bonded parameter combinations > Generating 1-4 interactions: fudge = 0.5 > Generated 2628 of the 2628 1-4 parameter combinations > ERROR 0 [file "gr_Nast.top", line 761]: > No default Bond types > ERROR 0 [file "gr_Nast.top", line 3352]: > No default Angle types > ERROR 0 [file "gr_Nast.top", line 3354]: > No default Angle types > > It seems gromacs don't read ffamber* force field information, however > i using the directive > > include = -I\home\jantonioms\Programs\gromacs\share\gromacs\top > > in *.mdp file > > Can anyone have an idea?
I don't know if it is the cause of the problem, but backslashes are not usually interpreted as directory & file separators on Unix - unlike Windows. Use forward slashes. As a first guess, I'd say that cpp is interpreting your include directive with the backslashes starting escape sequences for funky meanings, hence failing to find ffamber. That assumes you've put ffamber in that location, of course! :-) Mark _______________________________________________ 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
