[gmx-users] Selection of multiple residues
mariagoranovic at gmail.com
Fri Feb 22 11:58:50 CET 2008
"to select and copy the indices from an existing index-file to create a new
I am sorry I did not understand the meaning of the above ? I will have the
first atom number and the last atom number, and then ? How do I copy the
On Fri, Feb 22, 2008 at 10:58 AM, Bjoern Windshuegel <
bjorn.windshugel at uku.fi> wrote:
> 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
> an existing index-file to create a new group.
> Best regards,
> > 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
> > 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
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Technical University of Denmark
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