[gmx-users] Re: Problem with protein in lipid bilayer simulation

Pawan Kumar pawan.chinari at gmail.com
Tue May 12 11:43:51 CEST 2009


Hello Anirban,

This is due to some wrong editing and modifications of the .itp files.
Please follow the tutorial carefully. The explanation for each modification
is also given quite clearly.

Regards,
Pawan

On Tue, May 12, 2009 at 2:26 PM, Anirban Ghosh <anirbanz83 at yahoo.co.in>wrote:

> Hello Pawan and Justin,
>
> Thanks for the reply.
> I have removed the HW entries from the ffG53a6nb_lipid.itp file and still
> getting the error:
>
> ----------------------------------------------------------------------------------
> Fatal error:
> Unknown atomtype OW
>
> ----------------------------------------------------------------------------------
>
> Pawan can you just send me your modified ffG53a6nb_lipid.itp file.
> Please suggest.
>
> Regards,
>
>
>
> *Anirban Ghosh*
> *Grade Based Engineer
> Bioinformatics Team
> Centre for Development of Advanced Computing (C-DAC)
> Pune, India
> *
>
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