endstate_correction.tests.test_system.setup_vacuum_simulation

endstate_correction.tests.test_system.setup_vacuum_simulation(psf: CharmmPsfFile, params: CharmmParameterSet) → Simulation[source]

Test setup simulation in vacuum.

Args:

psf (CharmmPsfFile): topology instance params (CharmmParameterSet): parameter

Returns:

Simulation: instance of Simulation class