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(parent: 3e52c82) | patch
Change default MTS force group selection
authorBerk Hess <hess@kth.se>
Tue, 19 Jan 2021 16:38:19 +0000 (16:38 +0000)
committerArtem Zhmurov <zhmurov@gmail.com>
Tue, 19 Jan 2021 16:38:19 +0000 (16:38 +0000)
commitdee34c9c9c9276e7af16501533b07fb78d58da59
tree5a74283ffb7d9744c025664d5d5da0f56b569259tree | snapshot
parent3e52c82b8ffa11bfa318396eb8e86cbd0f9b7446commit | diff
Change default MTS force group selection

Because of instabilities of aliphatic protons with the Amber
force fields, the default force group selection for multiple
time stepping has been changed to include longrange-nonbonded only.

Refs #3804
docs/user-guide/mdp-options.rst diff | blob | history
src/gromacs/gmxpreprocess/readir.cpp diff | blob | history
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