[gmx-users] Selection of multiple residues
bjorn.windshugel at uku.fi
Fri Feb 22 10:58:05 CET 2008
I assume you want to select a range of residues, not some scattered amino
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.
> 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 ?
> Maria G.
> Technical University of Denmark
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
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