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Studer Gabriel authored
OpenMM 7.7 checks for realistic parametrisation, e.g. that an angle between three particles is in range [0, pi]. In the unit tests we just set random values for testing that were outside that range. This triggered an OpenMM error. The test values have been adapted accordingly.
Studer Gabriel authoredOpenMM 7.7 checks for realistic parametrisation, e.g. that an angle between three particles is in range [0, pi]. In the unit tests we just set random values for testing that were outside that range. This triggered an OpenMM error. The test values have been adapted accordingly.