> Ángel Piñeiro wrote: >> Dear David >> I have taken a look to the manual (version 3.3) and I haven't found >> information about how to tabulate bonded potential functions (it seems >> that Ran is right). On the other hand, what do you mean exactly with >> adding two dihedrals? > It could well be that you'll have to wait for 4.0 for the tabulated > dihedrals. > > You can however specify two torsion potentials around the same bond. > This is how it is done routinely in CHARMM, where there are even more > than two for some torsions.
Yep, although with sufficiently cunning trigonometry, you can reduce any combination of those to one Ryckaert-Belleman dihedral. This doesn't help for n >= 6, however. Mark _______________________________________________ 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