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