Hello, submitting my files to the bugzilla the answer and solution to the problem was the following:
Your top file is incorrect. You use: # include the space is not allowed, it should be #include Apparently your C pre processor (which is used by gmx 3.3) does not complain about this. Gromacs 4.0 uses it's own C pre processor, which can not process this (incorrect) format. Regards, Nikos --- David van der Spoel <[EMAIL PROTECTED]> schrieb am Fr, 17.10.2008: Von: David van der Spoel <[EMAIL PROTECTED]> Betreff: Re: [gmx-users] gromacs-4.0 error in grompp An: "Discussion list for GROMACS users" <gmx-users@gromacs.org> Datum: Freitag, 17. Oktober 2008, 18:30 Claus Valka wrote: > Hello, > > While I'm trying to use the grompp command I get this error : > > Program grompp, VERSION 4.0 > Source code file: topio.c, line: 415 > > Fatal error: > Syntax error - File topol.top, line 4 > Last line read: > ' [ system ]' > Invalid order for directive system > > I do not get this error in version 3.3.3 or 3.3.2 though. Any thought? Are you sure it is not a problem with the file? If it is reproducible you can submit a bugzilla. > > Thank you, > Nikos > > > __________________________________________________ > Do You Yahoo!? > Sie sind Spam leid? Yahoo! Mail verfügt über einen herausragenden Schutz > gegen Massenmails. > http://mail.yahoo.com > > > ------------------------------------------------------------------------ > > _______________________________________________ > 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 -- David. ________________________________________________________________________ David van der Spoel, PhD, Professor of Biology Dept. of Cell and Molecular Biology, Uppsala University. Husargatan 3, Box 596, 75124 Uppsala, Sweden phone: 46 18 471 4205 fax: 46 18 511 755 [EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ _______________________________________________ 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
_______________________________________________ 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
