One thing I totally forgot to mention is that you can not access the overall rotational motion of the protein using the NH vectors! These would contain both internal and overall motion.
Have a look at papers from Lipari and Szabo JACS-1982 for the initial model and from Bruschweiler Current Opinion in Structural Biology 2003, 13:175–183 in which you'll find more references ... XAvier. _______________________________________________ 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
