[gmx-users] Atomtype not found

[Mark Abraham]

On 21/05/2011 3:17 PM, Maria Hamilton wrote:
> Hi all
>
> I have the following Error in my simulation.
> Would you please help me?
>
> Program grompp, VERSION 4.5.4
> Source code file: toppush.c, line: 1166
>
> Fatal error:
> Atomtype SDMSO not found
>
> the name of .itp file, its name in topol.top and the name of component 
> in .itp file are the same.

Entries for the types of atoms in [atom] fields are looked up from the 
[atomtypes] section. Yours don't match, for some reason. Check out the 
examples and explanations in chapter 5 of the manual.

Mark