[gmx-users] Invalid order for directive X

Mark Abraham mark.j.abraham at gmail.com
Mon Jul 10 13:49:41 CEST 2017


Hi,

The atomtypes directive must appear early. So the acpype files must be
edited to have all the atom types in a block before any of the
moleculetypes. This is covered specifically at
http://www.gromacs.org/Documentation/Errors#Invalid_order_for_directive_xxx


Mark



On Mon, 10 Jul 2017 13:35 Khadija Amine <kh.amine1 at gmail.com> wrote:

> Hello,
>
> I have read the documentation and tried to solve the problem but still
> having the same error.
>
> Any suggestions, please?
>
>
> *Khadija Amine*
> Ph.D. Biology and Health
> Biochemistry & Bioinformatics
> --
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