Iván Pulido

> @ijpulidos : Were you able to sort out whether we should or should not delete the `Context` at the end of minimization? Deleting or not deleting does not seem...

> Hm, this is more difficult since we're not starting from the same initial energy. Any idea what is causing the non-determinisim? > Yeah, i also noticed that, the only...

We need to figure out if we should let the users specify the minimizer they want to use in the `MultiStateSampler` instance, or if we only want to support a...

We want to write tests that creates many context caches and make sure that the resources of the GPU don't get depleted (if we are emptying the context cache correctly)....

After the basic test we can also create a replica exchange sampler test where we create and destroy many repex samplers and check if the GPU resources are correctly handled....

Thanks for the feedback! That could indeed be useful to have, but can you share an example where the replica exchange/swap is taking too long? Because in my experience this...

You could use the `read_thermodynamic_states` method from the `MultiStateReporter` to get the thermodynamic systems and extract the information from that. I hope this helps.

Oh, I've been trying to get an example on how to reproduce this error because other users have also encountered it. Can you please share the scripts and data to...

Oh, haha, I am blind, i see the code now. Sorry!

I don't think we have immediate plans for this, but I believe this is something we do want to support. Any help is appreciated! Thanks!