"to select and copy the indices from an existing index-file to create a new group"
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 ... On Fri, Feb 22, 2008 at 10:58 AM, Bjoern Windshuegel < [EMAIL PROTECTED]> wrote: > 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: [EMAIL PROTECTED] > Phone: (+358) 17 162463 > Fax: (+358) 17 162456 > Web: www.uku.fi/farmasia/fake/modelling/index.shtml > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > -- Maria G. Technical University of Denmark Copenhagen
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