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An absorption tube for the investigation of gases in the photographic infrared
An absorption cell of novel design is described, which combines the advantages of long path and relatively small volume
Steady States of a Nonequilibrium Lattice Gas
We present a Monte Carlo study of a lattice gas driven out of equilibrium by
a local hopping bias. Sites can be empty or occupied by one of two types of
particles, which are distinguished by their response to the hopping bias. All
particles interact via excluded volume and a nearest-neighbor attractive force.
The main result is a phase diagram with three phases: a homogeneous phase, and
two distinct ordered phases. Continuous boundaries separate the homogeneous
phase from the ordered phases, and a first-order line separates the two ordered
phases. The three lines merge in a nonequilibrium bicritical point.Comment: 14 pages, 24 figure
Resolution exchange simulation
We extend replica exchange simulation in two ways, and apply our approaches
to biomolecules. The first generalization permits exchange simulation between
models of differing resolution -- i.e., between detailed and coarse-grained
models. Such ``resolution exchange'' can be applied to molecular systems or
spin systems. The second extension is to ``pseudo-exchange'' simulations, which
require little CPU usage for most levels of the exchange ladder and also
substantially reduces the need for overlap between levels. Pseudo exchanges can
be used in either replica or resolution exchange simulations. We perform
efficient, converged simulations of a 50-atom peptide to illustrate the new
approaches.Comment: revised manuscript: 4.2 pages, 3 figure
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