.. _move-head-pivot: ========== Head pivot ========== :Keyword: ``MOVE_HEAD_PIVOT`` :Move code: 5 :Status: core (but almost always set to 0) How it works ============ A head pivot is a pivot (:doc:`chain_pivot`) restricted to a **single terminal bead**: one of the two chain ends is chosen and that terminus is rotated about its neighbour. Only the end bead moves, so the conformational change is tiny - much smaller than a normal pivot, and largely redundant with what the crankshaft already does at the chain ends. Why detailed balance holds ========================== As for the other rigid moves, the choice of terminus and rotation is symmetric between the forward and reverse proposals, .. math:: g(x\to y) = g(y\to x), so the plain Metropolis acceptance :math:`A = \min(1, e^{-\Delta E/T})` preserves detailed balance (see :ref:`the primer `). Configuration ============= ``MOVE_HEAD_PIVOT`` : float Probability of selecting a head-pivot step (all ``MOVE_*`` must sum to 1.0). In practice this move adds little over the crankshaft and we **recommend leaving it at 0**. It is retained mainly for completeness.