[gmx-users] Selection of multiple residues

[Bjoern Windshuegel]

Hi,

I assume you want to select a range of residues, not some scattered amino 
acids..
So just check from your gro-file the atom numbers of begin and end of the 
region you need and use the information to select and copy the indices from 
an existing index-file to create a new group.


Best regards,

Björn




> Hello,
>
> I want to select 300 residues out of my 1000 residue protein and make an
> index out of it. make_ndx does not seem to have a simple method to do this.
> These are all residues in the same chain. How does one do this ?
>
> Sincerely
>
> -Maria
>
> --
> Maria G.
> Technical University of Denmark
> Copenhagen

-- 
Dr. Björn Windshügel

Department of Pharmaceutical Chemistry
University of Kuopio
P.O. Box 1627
70211 Kuopio, FINLAND

Email: bjorn.windshugel at uku.fi
Phone: (+358) 17 162463
Fax:   (+358) 17 162456
Web:   www.uku.fi/farmasia/fake/modelling/index.shtml