[gmx-users] Regarding error.

Javier Cerezo jcb1 at um.es
Wed Jun 6 08:59:05 CEST 2012

There is no GROMACS tool that repairs incomplete structures, but you can 
find other programs that can do it. Some of them have been previously 
posted in this list (try a search on it). Personally I've used Swiss PDB 
viewer, which is useful to add missing atoms.


El 06/06/12 07:42, Seera Suryanarayana escribió:
> Dear all gromacs users,
>                                   I have 1VZV.pdb file, in that file 
> HIS231 has incomplete ring as N atom is missing.Can i add N atom to 
> the .pdb file if possible how can i add that atom to .pdb file.
> Suryanarayana Seera,
> PhD student,
> India.

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