Changes anticipated to GROMACS 2022 functionality

Functionality deprecated in GROMACS 2022

GMX_OPENCL_NB_CLUSTER_SIZE CMake variable deprecated in favor of GMX_GPU_NB_CLUSTER_SIZE

Both OpenCL and SYCL support different cluster sizes, so GMX_GPU_NB_CLUSTER_SIZE should be used going forward.

The built-in viewer gmx view will be removed

There is little use and no tests of this functionality, so it is not worth attempting to maintain moving forward.

Issue 4296

The analysis tool gmx chi will be removed

This tool has not been functional for a few years. Please comment at the linked issue if you have any interest in it.

Issue 4108

Guessing masses and atomic radii from atom names is deprecated

When atom masses or van-der-Waals radii are needed, we suggest building a proper GROMACS topology instead of using PDB files directly, even if the tool supports it.

Issue 3368 Issue 4288