Gromacs
2019.6
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Test fixture base for energy minimizaiton.
This test ensures mdrun can run an energy minimization, reaching a reproducible final energy.
The choices for tolerance are arbitrary but sufficient.
Additional Inherited Members | |
Public Attributes inherited from gmx::test::MdrunTestFixture | |
TestFileManager | fileManager_ |
Manages temporary files during the test. | |
SimulationRunner | runner_ |
Helper object to manage the preparation for and call of mdrun. | |