When having an mdp option with both old and current name present in an mdp file, e.g. verlet-buffer-drift and verlet-buffer-tolerance, an assertion fails in gromp Program: gmx grompp, version 2018.1-dev-20180116-35654e9af Source file: src/gromacs/utility/keyvaluetreebuilder.h (line 417) Function: std::map&lt;std::basic\_string<char>, gmx::KeyValueTreeValue&gt;::iterator gmx::KeyValueTreeObjectBuilder::addProperty(const string&, gmx::KeyValueTreeValue&&) Assertion failed: Condition: !keyExists(key) Duplicate key value *(from redmine: issue id 2386, created on 2018-01-18 by berkhess, closed on 2018-01-18)* * Changesets: * Revision 3a08ebdb7e86ae4c1bd6582775b6a2e2ee350070 by Berk Hess on 2018-01-18T10:53:54Z: ``` Add check in grompp to avoid assertion failure With an mdp file with a parameter present with both the current name and the old name which automatically gets replaced, an assertion would fail. Now a fatal error is issued. Fixes #2386 Change-Id: Idc66145afaca6a1e0cb868dd6aba2405e2dd7171 ``` * Revision 42878b939eab87978e5af45cde2b8fe432231428 by Aleksei Iupinov on 2018-01-19T15:13:10Z: ``` Add a death test for the duplicate inputrec keys checking That was fixed in Idc66145af. Refs #2386 Change-Id: I4c726989da646ffa5343f4bcdea51dfdf049ef6c ```