[gmx-users] Error in itp file

[Mohammad Zahidul Hossain Khan]

Hi

Can you tell me, how have you used ACPYPE for itp.

On Aug 2, 2017 9:36 AM, "Souvik Dey" <souvik.dey29 at gmail.com> wrote:

> Hi,
>
> I just generated an itp file from ACPYPE. However, if I try to add ions it
> shows the following error:
>
> Fatal error:
> Syntax error - File FAD.itp, line 3
> Last line read:
> '[ atomtypes ]'
> Invalid order for directive atomtypes
>
>
> Can somebody say how do I fix this?
>
> Regards,
> Souvik Dey
>
> --
> Souvik Dey
> Integrated Science Education & Research Centre
> Visva Bharati University
> Santiniketan-731235
> West Bengal
> 8981736643
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