Corrected automatic ion restraining in flexref - solves issue #1510#1511
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amjjbonvin merged 5 commits intomainfrom Apr 12, 2026
Merged
Corrected automatic ion restraining in flexref - solves issue #1510#1511amjjbonvin merged 5 commits intomainfrom
amjjbonvin merged 5 commits intomainfrom
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Corrected some comments in emref and mdref
Requires as a change in the topology resets databases
VGPReys
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Apr 12, 2026
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Ow ! Uracil was missing in the definition !
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Checklist
CHANGELOG.mdis updated to incorporate new changesSummary of the Pull Request
Move the call to
restraint-ions.cnsafter the the call toread_data.cnsin the flexref module.Related Issue
#1510