Hi all, anyone knows how to use (in gromacs) a potential of the type: U_tors(phi_ijkl) = Sum_n 1/2 k_n [1-cos(n phi_ijkl)]
with n going from 1 to 7? as far as I saw only the Ryckaert-Bellemans with 6 parameters and a periodic function are implemented in gromacs. Chapter 4 says something about this subject and it explains how to translate OPLS in R-B but it seems that 7 parameters are not included I am trying to use the force field for perfluoroalkanes published by Borodin et al in JPCB (106) 2002, 9912. Thanks in advance for the help, Angel Piñeiro. _______________________________________________ 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
