Jamie, The idea is the same. Some directive is not at its place. I cannot say which is exactly because I don't see all the picture with your topology file (+included files). Write the sequence of directives as they go in .top (+included .itp) and then we will see what sections must be shifted or maybe just swapped.
Vitaly On Tue, Aug 11, 2009 at 12:34 AM, Jamie Seyed<jamie.se...@gmail.com> wrote: > Hi Vitaly, > When I add it back, I got the old error > ----------- > Program grompp, Version 4.0.5 > Source Code file: topio.c, line: 415 > Fatal error: > Syntax error-File ffoplsaa.itp, line 18 > last line read: > '[defaults]' > Invalid order for directive defaults > ----------- > Now do you have any idea??? I appreciate your help/Jamie > > On Mon, Aug 10, 2009 at 5:22 PM, Jamie Seyed <jamie.se...@gmail.com> wrote: >> >> Hi Vitaly, >> I did it because I read from >> http://oldwiki.gromacs.org/index.php/Errors#Found_a_second_defaults_directive_file >> that says: >> "One solution is to simply comment out (or delete) the lines of code out >> in the file where it is included for the second time i.e., ..". So if it is >> the case I am going to undo it to see what happens... I will let you know. >> Thanks/Jamie >> On Mon, Aug 10, 2009 at 5:05 PM, Vitaly V. Chaban <vvcha...@gmail.com> >> wrote: >>> >>> Why did you comment out [defaults] in ffoplsaa.itp? The general idea >>> is that the sections in the resulting topology file (after including >>> #include's) must be placed in the strict order. _______________________________________________ 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
