<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;">Hello,<br><br>submitting my files to the bugzilla the answer and solution to the problem was the following:<br><br>Your top file is incorrect.<br>You use:<br> # include<br>the space is not allowed, it should be<br> #include<br><br>Apparently your C pre processor (which is used by gmx 3.3)<br>does not complain about this.<br>Gromacs 4.0 uses it's own C pre processor, which can not<br>process this (incorrect) format.<br><br>Regards,<br>Nikos<br><br><br>--- David van der Spoel <i><spoel@xray.bmc.uu.se></i> schrieb am <b>Fr, 17.10.2008:<br></b><blockquote style="border-left: 2px solid rgb(16, 16, 255); margin-left: 5px; padding-left: 5px;"><b>Von: David van der Spoel <spoel@xray.bmc.uu.se><br>Betreff: Re: [gmx-users] gromacs-4.0 error in grompp<br>An: "Discussion list for GROMACS users" <gmx-users@gromacs.org><br>Datum: Freitag, 17. Oktober 2008,
18:30<br><br></b><pre><b>Claus Valka wrote:<br>> Hello,<br>> <br>> While I'm trying to use the grompp command I get this error :<br>> <br>> Program grompp, VERSION 4.0<br>> Source code file: topio.c, line: 415<br>> <br>> Fatal error:<br>> Syntax error - File topol.top, line 4<br>> Last line read:<br>> ' [ system ]'<br>> Invalid order for directive system<br>> <br>> I do not get this error in version 3.3.3 or 3.3.2 though. Any thought?<br><br>Are you sure it is not a problem with the file?<br><br>If it is reproducible you can submit a bugzilla.<br><br>> <br>> Thank you,<br>> Nikos<br>> <br>> <br>> __________________________________________________<br>> Do You Yahoo!?<br>> Sie sind Spam leid? Yahoo! Mail verfügt über einen herausragenden Schutz<br><br>> gegen Massenmails.<br>> http://mail.yahoo.com<br>> <br>> <br>>
------------------------------------------------------------------------<br>> <br>> _______________________________________________<br>> gmx-users mailing list gmx-users@gromacs.org<br>> http://www.gromacs.org/mailman/listinfo/gmx-users<br>> Please search the archive at http://www.gromacs.org/search before posting!<br>> Please don't post (un)subscribe requests to the list. Use the <br>> www interface or send it to gmx-users-request@gromacs.org.<br>> Can't post? Read http://www.gromacs.org/mailing_lists/users.php<br><br><br>-- <br>David.<br>________________________________________________________________________<br>David van der Spoel, PhD, Professor of Biology<br>Dept. of Cell and Molecular Biology, Uppsala University.<br>Husargatan 3, Box 596, 75124 Uppsala, Sweden<br>phone: 46 18 471 4205 fax: 46 18 511 755<br>spoel@xray.bmc.uu.se spoel@gromacs.org
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