choderalab/openmmtools 0.11.0

Software OPEN SOURCE
John Chodera; Andrea Rizzi; Kyle Beauchamp; Patrick Grinaway; Josh Fass; Bas Rustenburg; Gregory A. Ross; Levi Naden;
(2017)

<p>New Features:</p> <ul> <li>LangevinIntegrator now sets measure_heat=False by default for increased performance (#211)</li> <li>AbsoluteAlchemicalFactor now supports disable_alchemical_dispersion_correction to prevent 600x slowdowns with nonequilibrium integr... View more
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