Thank you both! Omer. Koby Levy research group, Weizmann Institute of Science. http://www.weizmann.ac.il/sb/faculty_pages/Levy/
On Sat, Sep 13, 2008 at 15:57, Justin A. Lemkul <[EMAIL PROTECTED]> wrote: > > > Omer Markovitch wrote: > >> Hello, >> I would like to ask for your help in defining groups: >> Say I have a protein. I would like to have two groups (1) the Calpha >> backbone (2) everything else. >> Later on, I will want to freeze the Calpha group. >> How can I define these groups? Where? >> I have looked in the manual, but I do not understand how to do it and in >> which files. >> > > Groups are defined in index files (.ndx), which are created with make_ndx. > Calpha is a default group read in from a protein structure. To create a > group that is everything but Calpha (group 3 in the make_ndx list), you > would use > > !3 > > at the make_ndx prompt. > > -Justin > > Thank you, Omer Markovitch. >> >> Koby Levy research group, >> Weizmann Institute of Science. >> http://www.weizmann.ac.il/sb/faculty_pages/Levy/ >> >> >> ------------------------------------------------------------------------ >> >> _______________________________________________ >> 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 >> > > -- > ======================================== > > Justin A. Lemkul > Graduate Research Assistant > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > > ======================================== > > _______________________________________________ > 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 >
_______________________________________________ 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