"to select and copy the indices from an existing index-file to create a new group"<br><br>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 indices ... <br>
<br><div class="gmail_quote">On Fri, Feb 22, 2008 at 10:58 AM, Bjoern Windshuegel <<a href="mailto:bjorn.windshugel@uku.fi">bjorn.windshugel@uku.fi</a>> wrote:<br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
Hi,<br>
<br>
I assume you want to select a range of residues, not some scattered amino<br>
acids..<br>
So just check from your gro-file the atom numbers of begin and end of the<br>
region you need and use the information to select and copy the indices from<br>
an existing index-file to create a new group.<br>
<br>
<br>
Best regards,<br>
<br>
Björn<br>
<div><div></div><div class="Wj3C7c"><br>
<br>
<br>
<br>
> Hello,<br>
><br>
> I want to select 300 residues out of my 1000 residue protein and make an<br>
> index out of it. make_ndx does not seem to have a simple method to do this.<br>
> These are all residues in the same chain. How does one do this ?<br>
><br>
> Sincerely<br>
><br>
> -Maria<br>
><br>
> --<br>
> Maria G.<br>
> Technical University of Denmark<br>
> Copenhagen<br>
<br>
</div></div>--<br>
Dr. Björn Windshügel<br>
<br>
Department of Pharmaceutical Chemistry<br>
University of Kuopio<br>
P.O. Box 1627<br>
70211 Kuopio, FINLAND<br>
<br>
Email: <a href="mailto:bjorn.windshugel@uku.fi">bjorn.windshugel@uku.fi</a><br>
Phone: (+358) 17 162463<br>
Fax: (+358) 17 162456<br>
Web: <a href="http://www.uku.fi/farmasia/fake/modelling/index.shtml" target="_blank">www.uku.fi/farmasia/fake/modelling/index.shtml</a><br>
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</blockquote></div><br><br clear="all"><br>-- <br>Maria G.<br>Technical University of Denmark<br>Copenhagen