[gmx-users] Invalid order for directive atomtypes

[Mark Abraham]

On 3/05/2011 7:13 PM, Geethu Issac wrote:
> Hello Users,
>
> I am a final year project student.I am doing simulation of gangliosdie 
> gm1 using gromacs 4.5.4. I am encountering an error in the energy 
> minimisation step(grompp -f ions.mdp -c gm1_solv.gro -p gm12.top -o 
> ions.tpr) saying
>
> *
> -------------------------------------------------------
> Program grompp, VERSION 4.5.4
> Source code file: topio.c, line: 653
>
> Fatal error:
> Syntax error - File ffgmxnb.itp, line 1
> 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
> -------------------------------------------------------
> *
> The pdb file i have downloaded from 3DSDSCAR. I tried several times 
> with the same but am encountering the same error.Can anyone  please 
> give me  some guidelines or solution for the same.

Did you follow that link and see what it has to say about this 
frequently-occurring problem?

Mark
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