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