Autogenerated Tag Syntax Documentation:


Monte Carlo update for chain molecules: Biased Gaussian steps in torsional space The Journal of Chemical Physics, Vol. 114, No. 18. (2001), pp. 8154-8158. Two steps for perturbing the backbone and keeping the geometry constrain Step 1: Gaussian Biased steps in torsional space: the end atoms of the moving segment should be choosen by user and to keep the geometry constrain(6), the DOF of the moving segment greater than 6 Step 2: pivot update the bb conformation, or followed by a chainclosure method (BBConRot)

<BBGaussian name="(&string;)" factorA="(1.0 &real;)" factorB="(10.0 &real;)"
        end_atoms="(&string;)" dof="(8 &non_negative_integer;)"
        pivot="(4 &non_negative_integer;)" shrink="(false &bool;)"
        autoA="(false &bool;)" fix_tail="(false &bool;)" />
  • factorA: XRW TO DO
  • factorB: XRW TO DO
  • end_atoms: XRW TO DO
  • dof: XRW TO DO
  • pivot: XRW TO DO
  • shrink: XRW TO DO
  • autoA: XRW TO DO
  • fix_tail: XRW TO DO overwrite option[bbg::fix_short_segment]