• Francois Gygi's avatar
    Change sign of force on constraints and pair force · 88181a82
    Francois Gygi authored
    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.
    88181a82