[gmx-users] gromacs-4.0 error in grompp

[Claus Valka]

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 <spoel at xray.bmc.uu.se> schrieb am Fr, 17.10.2008:
Von: David van der Spoel <spoel at xray.bmc.uu.se>
Betreff: Re: [gmx-users] gromacs-4.0 error in grompp
An: "Discussion list for GROMACS users" <gmx-users at 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
> 
> 
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-- 
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
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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