[gmx-users] second defaults directive

[Erik Lindahl]

Hi,

You are probably including the forcefield twice (perhaps both from 
lipids.itp and the main xxx.top). Alternatively, lipids.itp might 
contain a full forcefield declaration too..

By default, Gromacs first searches the local directory, and then the 
top directory. You can set a directory to search with the GMXLIB 
environment variable.

Cheers,

Erik


On Wednesday, July 2, 2003, at 10:27 AM, Derrick Guang Yuh Lee wrote:

> has anyone experienced the Fatal error known as "second defaults
> directive" ? i'm kinda curious about this because in the top file that 
> i
> am using, it references the "lipid.itp", but as long as the file 
> exsists,
> i get the following error:
>
> Fatal error: Found a second
> defaults directive, file "/usr/local/share/gromacs/top/lipid.itp", 
> line 9
>
> as soon as i rename the file though, it goes away, but i know that i 
> need
> the file and part way through the process of using grompp, i see if 
> split
> out the following:
>
> calling /lib/cpp...
> dppc128.top:4:21: lipid.itp: No such file or directory
>
> so, any suggestions about this one? thanks.
>
>  - derrick
>
>
>  derrick Lee
>  faculty of Science
>  Memorial University of Newfoundland
>  k24dgyl at mun.ca or derrickglee at hotmail.com
>
> "a teacher is never a giver of truth - he is a guide, a pointer to the
> truth that each student must find for himself. a good teacher is 
> merely a
> catalyst."
>                                                               - bruce 
> lee
>
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.