Making it rain on local host

[rijuaxt]

Dear concern,

I was wondering if you could let us know the usability of making it rain code on local host instead of Google colab. The intention of my question is to make amber gromacs even more easier for the beginner.

As an expert you must know how time consuming and difficult it is for the beginners to learn gromacs and AMBER protein-ligand MD simulation. If the jupyter script can be used on local host with GPU, i think it would open a big door..

Any undergraduate, graduate, researcher would opt for it. it would be very helpful for the whole community actually.

[pablo-arantes]

Hi @rijuaxt,

Thank you for your message. As you can see in the paper, the main goal of this work is to demonstrate how to harness the power of cloud-computing to run microsecond-long MD simulations in a cheap and yet feasible fashion. We didn't try yet a local version of Making it Rain notebooks. Probably to run in a local host, you need to do several changes in the notebooks. We can try to prepare something to run local, however, no idea when it will be ready.

I'm closing the issue now. Please, let me know if you have any questions.

Thank you.

Pablo