[gmx-users] Error- Atom not found in residue seq nr while adding atom
aiswarya.pawar at gmail.com
Wed Apr 18 12:34:59 CEST 2012
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.
> 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.
> Javier CEREZO BASTIDA
> PhD Student
> Physical Chemistry
> Universidad de Murcia
> Murcia (Spain)
> Tel: (+34)868887434
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Aiswarya B Pawar
Indian Institute of Science
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