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  1. 09 Jun, 2020 1 commit
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    • 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
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