Dear Dr.Warren Thanks for your help about g_sdf. Actually I am confused about determine of the atoms (three reference atoms for the molecule) in index. I don't know on a basis of which criteria should I choose this three atoms inside the protein?
Before thanks _______________________________________________ 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
