[gmx-users] Re: Error during executing the protein ligand tutorial

[Mark Abraham]

On 21/06/2011 2:51 PM, bharat gupta wrote:
> ok now I am doing the things again and here is the result of output of 
> each command till adding ions. At the time of executing the command 
> grompp for reading em.mdp file for ions.tpr generation, I am getting 
> the following error:-
>
>
> Fatal error:
> Syntax error - File PTR.itp, line 7
> Last line read:
> '[ atomtypes ] '
> Invalid order for directive atomtypes
> For more information and tips for troubleshooting, please check the 
> GROMACS
> website at http://www.gromacs.org/Documentation/Errors
> -------------------------------------------------------
>
> "Everything's formed from particles" (Van der Graaf Generator)
>
> here's a list of output , I obtained till the step of adding ion ??

You haven't followed the steps of the tutorial well enough. 
Specifically, you've edited a .top or .itp file in the wrong place.

Mark