[gmx-users] Error- Atom not found in residue seq nr while adding atom

[aiswarya pawar]

Hi Javier,

I did tried using the swisspdb for adding missing atoms still am receiving
the same error.


On Wed, Apr 18, 2012 at 3:44 PM, Javier Cerezo <jcb1 at um.es> wrote:

>  Your PDB structure have probably some missing atoms. Check if this is the
> case for residue nr. 7.
>
> To solve it you can use an external tool to process your PDB file adding
> the missing atoms. I've used SwissPDB and worked fine.
>
> Javier
>
> El 18/04/12 11:24, aiswarya pawar escribió:
>
> Hi Users,
>
> I did the following step=
>  pdb2gmx -ignh -f 1ahw.pdb -o sample.pdb -p sample.top
>
>
> and received an error= Atom ND1 not found in residue seq.nr. 7 while
> adding atom.
>
> I dont understand how do i rectify this.
>
>
> --
> Aiswarya
>
>
>
> --
> Javier CEREZO BASTIDA
> PhD Student
> Physical Chemistry
> Universidad de Murcia
> Murcia (Spain)
> Tel: (+34)868887434
>
> --
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-- 
Aiswarya  B Pawar

Project Assistant,
Bioinformatics Dept,
Indian Institute of Science
Bangalore
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