[gmx-users] grompp

[David van der Spoel]

On Mon, 2002-12-09 at 14:54, Luciane Vieira de Mello wrote:
> 
> Dear all,
> 
> I am getting the following message when trying to run grompp,
> any idea??
> 
> Warning: as of GMX v 2.0 unit of compressibility is truly 1/bar
> checking input for internal consistency...
> calling /lib/cpp...
> In file included from topol.top:8:
> /usr/local/share/gromacs/top/flexspc.itp:33:6: warning: no newline at end
> of file
> /usr/local/share/gromacs/top/f/usr/local/share/gromacs/top/flexspc.itp:33:6:lexspc.itp:33:6: warning: no newline at end
> of file
> topol.top:22:39: missing terminating ' character
> cpp exit code: 256

start by fixing the error message in the library file
/usr/local/share/gromacs/top/flexspc.itp line 33 column 6

> Tried to execute: '/lib/cpp  -I/usr/local/share/gromacs/top -DFLEX_SPC
> topol.top /tmp/file0HHWJn'
> The '/lib/cpp' command is defined in the .mdp file
> processing topology...
> Cleaning up temporary file /tmp/file0HHWJn
> Fatal error: Could not open /tmp/file0HHWJn
> 
> 
> 
> thanks
> 
> 
> +-------------------------------------------------------------------------+
> |                  Dra. Luciane Vieira de Mello Rigden                    |
> | e-mail: mello at cenargen.embrapa.br                                       |
> | Embrapa Recursos Geneticos e Biotecnologia                              |
> | Parque Estacao Biologica           |  http://www.cenargen.embrapa.br    |
> | PqEB - Final - Av. W3 Norte        |  Phone:  +55 (61)448-4741          |
> | 70770-900, Brasilia-D.F.-BRAZIL    |  Fax:    +55 (61)340-3658          |
> +-------------------------------------------------------------------------+
> 
> 
> 
> 
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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