in my previous post, for the values of the Ryckaert-Bellemans parameters (in kJ/mol) that i calculated
dihedral C0 C1 C2 C3 C-C-C-C 3.56686 -1.889076 1.313776 -2.33467 should be: dihedral C0 C1 C2 C3 C-C-C-C 3.56686 -1.889076 0.656888 -2.33467 -David Huang _______________________________________________ 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
