Hi, As I understand it, g_order does not report the order parameter for the terminal methyl carbon because the C-H bond is missing for united atoms. So, how do people calculate the order parameter for the terminal methyl atom from GROMACS simulations? I see it reported in articles all the time. Could not find anything specific in the mailing lists.
Also, for unsaturated carbons, the unsat option must be used. So, one simply makes a new index file with two carbons atoms each on each side of the unsaturated bond, correct? Thank you for the help, -Himanshu _______________________________________________ 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
