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(parent: 03c59bc) | patch
Fix grompp constraints=all-angles with constraints
authorBerk Hess <hess@kth.se>
Mon, 26 Aug 2019 14:46:00 +0000 (16:46 +0200)
committerBerk Hess <hess@kth.se>
Mon, 26 Aug 2019 15:58:25 +0000 (17:58 +0200)
commit9fee6b57c0996c94a347dc0affb8951cf14c3688
treef1e89c61f29de47f5933617e1598c8e984edcd76tree | snapshot
parent03c59bcbfc258e1c4bda44ca990c9ffd9bcbb869commit | diff
Fix grompp constraints=all-angles with constraints

When using the mdp option constraints=all-angles, angles involving
bonds supplied as constraints in the topology would be removed,
but not replaced by angle constraints.

Fixes #3067

Change-Id: I7db390785a23c67abb30ae98e12272f88f5d5af7
docs/release-notes/2019/2019.4.rst diff | blob | history
src/gromacs/gmxpreprocess/topshake.cpp diff | blob | history
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