[gmx-users] Atomtype not found

[Anton Feenstra]

Patrick Ladam wrote:
> 
[...snip...]
> Fatal error: Atomtype 'C5*' not found!
[...snip...]
> and HC (atomtype for H5*1 and H5*2) and CS2 (atomtype for C5*) are
> here...
> 
> So at that point I don't have a clue why grompp stops...Can anyone
> help me on that, the error message is not very informative to me, so...

If you say that CS2 is the atom type you use for the atom with name C5*,
and grompp complains that it does not know the atom type C5*, then
clearly you have a mix-up somewhere between atom names and types in
your topology file(s). This might also for example be in the .rtp file.
It is a bit sad that no line-numbers are mentioned by grompp which 
would make it easier for you to locate the error.


-- 
Groetjes,

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