Chris, At one point the forces were incorrrect in the dihedral restraints. I *think* this was in 3.3 but one of the developers will probably know. I have a note to this effect in one of my publications too but I haven't the time to find it right now.
David On Jan 26, 2008 10:43 PM, <[EMAIL PROTECTED]> wrote: > This is just a notice for the archives. > > I was recently working on a new cluster where only gromacs 3.3 is > installed. It took me a while to figure out that the [ > dihedral_restraints ] section is either differently implemented or > broken in 3.3 compared to 3.3.1. Since the online list of revisions is > not up to date past 3.2, I thought I would put a note on the mailing > list. > > There is some discussion about versions and dihedral restraints here: > http://www.gromacs.org/pipermail/gmx-users/2006-March/020512.html > > And for using dihedral restraints in 3.3.1, a description is here: > http://www.gromacs.org/pipermail/gmx-users/2006-December/025087.html > > > _______________________________________________ > gmx-users mailing list [email protected] > 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 > _______________________________________________ gmx-users mailing list [email protected] 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
