That's perfect, thanks!

Similar question for 7.3(https://github.com/openmm/openmm/issues/2161).

Hi all

Where can I find a full changelog for 7.4?

This release adds performance improvements, more accelerated sampling methods, PPC support, and more

seems unsatisfying. A proper changelog would be very useful to decide whether to upgrade or not.

Hi all I've been using OpenMM for a while on solvated and equilibrated structures obtained using other means. I was wondering if anyone uses OpenMM to equilibrate a large protein from the initial crystal structure. This would involve * Solvation using a pre-equilibrated water box or something simila...

Actually I ended up delving into the "python" directory and doing a

python setup.py install --prefix=..

and it seemed to work.

Hi there I managed to get the latest OpenMM to compile from source. However I am trying to build the Python API as mentioned in the user guide, and get siddharth@node505 ~/Downloads/build_openmm $ make PythonInstall -- Configuring done -- Generating done -- Build files have been written to: /Network...

Brilliant, thanks!

So I would have to compile from source, and not use the precompiled binaries?

Hi all AWS just got some Volta instances, and I noticed some ongoing work for Volta support in the github pull requests. What is the current status of this effort? I tried using OpenMM 7.0.1 with CUDA 7 which we have used so far, and get Exception: Error downloading array interactionCount: clEnqueue...

Right. So I think the overall answer here is that its possible but complicated to get the entire force field to work with subsets, so I'll just shelve this for now. Thanks for your replies!