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
<http://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
--
gmx-users mailing list [email protected]
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [email protected].
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
