Moving constraints

The following describes the parameters for the moving harmonic constraint feature of NAMD. This feature allows a harmonic restraining force to be applied to any one atom in the simulation and the restraining reference position to be moved.

• movingConstraints $\langle$ Activate moving constraints? $\rangle$
  Acceptable Values: on or off
  Default Value: off
  Description:  Turns moving constraints on and off. If set to on, then movingConsVel and movingConsAtom must be defined.

• movingConsVel $\langle$ velocity of the reference position movement (Å/timestep) $\rangle$
  Acceptable Values: vector
  Description: The velocity of the reference position movement. Gives both absolute value and direction.

• movingConsAtom $\langle$ index (0-based) of the constrained atom $\rangle$
  Acceptable Values: non-negative integer
  Description: The index of the atom constrained to the moving reference position. If the atom is numbered i in the PDB file, i-1 must be specified. NAMD will crash if the atom is not constrained in the conskfile.