To whomever this may concern,
I am trying to run relax with constraints. The constraints are read in, and I verified by hand that the values within the score output file are accurate. However, the relaxation does not seem to move the atoms to reduce the constraint score. The command I am using is relax.linuxgccrelease @inputs.inp, where inputs.inp contains the following text:
and constraints.cst contains a single constraint: "Dihedral CA 1 C 1 N 2 CA 2 BOUNDED 10.0 15.0 0.3 0.5 TAG". I am not sure why the application is not driving the dihedral angle to be closer to the designated range. I am not expecting the constraints to be perfectly met, but the current dihedral angle is substantially different than the designated range and changes by less than a degree during the relax application. Any help would be greatly appreciated.