[Question] How to specify platform info for ReplicaExchangeSampler

[lucl13]

Hi,

Is there any way to specify platform info for ReplicaExchangeSampler as in normal simulations?:

platform = openmm.Platform.getPlatformByName('CUDA')
properties = {'CudaDeviceIndex': '0'}

simulation = Simulation(topology, system, integrator, platform, properties)

There is no such option for ReplicaExchangeSampler.

[lucl13]

It can be done by set a global ContextCache:

cache.global_context_cache.set_platform(platform, properties)

Reference: https://github.com/choderalab/openmmtools/blob/b233203bc8192eed30c3232d560e97047657fc9f/docs/mcmc.rst