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Commit e276434b authored by Studer Gabriel's avatar Studer Gabriel
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make mol.mm.simulation unit test more permissive

The test_simulation_energy_calculations unit test compares the potential
energy of crambin after 200 steps steepest descent with a reference value.
Depending on OpenMM version / hardware, we might get slight differences
that propagate through the minimization.
parent 70a3fef8
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