Hello, Manuel, Thank you very much for your trick. It is neat.
Have a nice weekend! Dongsheng On Sun, 2006-06-25 at 02:58 +0200, Manuel Prinz wrote: > Hello Dongsheng! > > Am Samstag, den 24.06.2006, 17:26 -0400 schrieb Dongsheng Zhang: > > In make_ndx, I would like to keep two groups, for instance, group 4 and > > group 5. I have try it in two ways, namely, "keep 4 & keep 5" and "keep > > 4 | keep 5". However both ways only keep group 4. Anyway to accomplish > > my task is to delete other groups one by one, but it is not so > > convenient. Could anyone tell me what is the trick? Thanks! > > I don't think this can be done directly. Nevertheless, a quite simple > solution is to first copy the selections you would like to keep (by just > giving the number of the group you want to copy) and then deleting all > default groups ("del 0-13"). Your session might look like this: > > > 4 [Enter] > > Copied index group 4 'Backbone' > > 14 Backbone : 39 atoms > > > 5 [Enter] > > Copied index group 5 'MainChain' > > 15 MainChain : 53 atoms > > > del 0-13 [Enter] > > Removed group 0 'System' > Removed group 1 'Protein' > Removed group 2 'Protein-H' > Removed group 3 'C-alpha' > Removed group 4 'Backbone' > Removed group 5 'MainChain' > Removed group 6 'MainChain+Cb' > Removed group 7 'MainChain+H' > Removed group 8 'SideChain' > Removed group 9 'SideChain-H' > Removed group 10 'Prot-Masses' > Removed group 11 'Non-Protein' > Removed group 12 'SOL' > Removed group 13 'Other' > > > [Enter] > > > 0 Backbone : 39 atoms > 1 MainChain : 53 atoms > > nr : group ! 'name' nr name 'splitch' nr Enter: list > groups > 'a': atom & 'del' nr 'splitres' nr 'l': list > residues > 't': atom type | 'keep' nr 'splitat' nr 'h': help > 'r': residue 'res' nr 'chain' char > "name": group 'case': case sensitive 'q': save and > quit > > > q [Enter] > > The resulting index.ndx contains the desired groups. > > HTH > Manuel > > > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://www.gromacs.org/mailman/listinfo/gmx-users > 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 _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users 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