Dechang Li wrote: > Dear all, > > I want to use g_rotacf to calculate the order parameter(S2, N-H bond in > main chian). > The tool g_rotacf needs an index.ndx file that contains two vectors. How can > I make the > index.ndx file? Can I use the tool make_ndx to do this? Or I need to write > the file manually?
See http://wiki.gromacs.org/index.php/Index_File. I think you just want to write a file by hand. Mark _______________________________________________ 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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
