[gmx-users] grompp error

[Anton Feenstra]

Senthil Kandasamy wrote:
> 
> Hi,
> 
[..snip..]
> WARNING 2 [file "dppc64.top", line 9]:
>   Invalid directive molecule
[..snip..]
> my dppc64.top looks like
> 
> ; dppc64 topology file
> #include "ffgmx.itp"
> #include "lipid.itp"
> #include "dppc.itp"
> #include "spc.itp"
> 
> [system]
> 
> dppc in water
> [molecule]
> dppc    64
> sol     3846
> 
> what is the source of this error? what should I fix?

It should be '[ molecules ]' and not '[ molecule ]', grompp
already complained about not knowing 'molecule'

-- 
Groetjes,

Anton
 ________ ___________________________________________________________
|        | Anton Feenstra                                            |
| .      | Dept. of Pharmacochemistry - Free University Amsterdam    |
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