[gmx-users] No such moleculetype Na

Mark Abraham Mark.Abraham at anu.edu.au
Sun Dec 11 12:38:34 CET 2011


On 11/12/2011 8:17 PM, Setare Jiji wrote:
> Hi,
> Thanks for your responding.
>
> I checked my ions.itp file in which file sodium and chlorine ions are 
> as Na and Cl form.
>
> Thus, I used genion as follows:
>
> genion -s ions.tpr -o 1AKI_solv_ions.gro -p topol.top -nname Cl -nn 8 
> -pname Na
>
> Unfortunately, I encountered same fatal error.
>

Then you were either not looking at the right file, or not looking at 
the right name. As genion -h says, you need to use the molecule name, 
not the atom name or residue name.

Mark
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