{
TEST(NBlibTest, GmxForceCalculatorCanCompute)
{
- ArgonSimulationStateBuilder argonSystemBuilder;
+ ArgonSimulationStateBuilder argonSystemBuilder(fftypes::GROMOS43A1);
SimulationState simState = argonSystemBuilder.setupSimulationState();
NBKernelOptions options = NBKernelOptions();
options.nbnxmSimd = SimdKernels::SimdNo;