  We present generalized-ensemble algorithms for isobaric-isothermal molecular
simulations. In addition to the multibaric-multithermal algorithm and
replica-exchange method for the isobaric-isothermal ensemble, which have
already been proposed, we propose a simulated tempering method for this
ensemble. We performed molecular dynamics simulations with these algorithms for
an alanine dipeptide system in explicit water molecules to test the
effectiveness of the algorithms. We found that these generalized-ensemble
algorithms are all useful for conformational sampling of biomolecular systems
in the isobaric-isothermal ensemble.
