
Change sign of force on constraints and pair force · 88181a82
The change of sign makes the value of the force consistent with the definition of the force ( grad(E) ) A positive value of the constraint force tends to increase the constraint value. The change of sign of PairForce makes it such that a positive PairForce value tends to increase the bond length. The value of the PairForce needed to compensate for a distance constraint is opposite to the force acting on the constraint.
Francois Gygi committed