Removed features ^^^^^^^^^^^^^^^^ Removed hybrid GPU+CPU nonbonded mode """""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""" This mode was not very useful, since it ran the non-local non-bonded interactions on the CPU. The fraction of non-local interaction is set by the domain decomposition, so this is not flexible. Also this mode was not being tested. QM/MM: removed optimization and transition-state search """""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""" These functionalities used to only work with old versions of Orca, had very limited use and will possibly not work any longer now. Updated application clock handling on Pascal+ GPUs """""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""" Starting with Pascal (CC >= 6.0) it is no longer possible to change application clocks without root privileges. Application clocks are still reported for Pascal+, but there is no longer suggestions about changing them. Removed continuation from :ref:`gmx convert-tpr` """""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""" Removed the obsolete option of :ref:`gmx convert-tpr` to write a tpr file for continuation using a trajectory and energy file. This is superseded by checkpointing.