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(parent: 3b82305) | patch
Disable MTS with SD integrator
authorBerk Hess <hess@kth.se>
Thu, 5 Nov 2020 09:57:25 +0000 (09:57 +0000)
committerPaul Bauer <paul.bauer.q@gmail.com>
Thu, 5 Nov 2020 09:57:25 +0000 (09:57 +0000)
commit4034513ca129eb03b10de937671d1b2b9557a2d8
treea726229f65dec8bf4f5fddc90701b6dac4307340tree | snapshot
parent3b8230560e84c06a44762aaa753f68931466d1a4commit | diff
Disable MTS with SD integrator

The SD integrator requires different damping coefficients for
the different MTS forces and we currently don't have the different
MTS forces available separately in the integrator.

Fixes #3775
docs/user-guide/mdp-options.rst diff | blob | history
src/gromacs/gmxpreprocess/readir.cpp diff | blob | history
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