[gmx-users] dihedral restraints: Can users or developers help?

David Mobley dmobley at gmail.com
Thu Jun 2 19:58:55 CEST 2005

I asked recently about how to set up dihedral restraints in Gromacs,
since it doesn't seem to be documented, and received some responses. I
DO know how to set up restraints, and I can get angle and distance
restraints to work fine.

However, I consistently get a restraint energy of zero for dihedral
restraints. Can any users or developers help with this?

I would note that the same problem has been pointed out before here:
and gone unanswered. And I wrote about it myself the other day, too:

Has anyone successfully used dihedral restraints? 


More information about the gromacs.org_gmx-users mailing list