endstate_correction.tests.test_system

Functions

load_endstate_system_and_samples	Test if samples can be loaded and system can be created
setup_ZINC00077329_system
setup_vacuum_simulation	Test setup simulation in vacuum.
setup_waterbox_simulation	Test setup simulation in waterbox.
test_generate_simulation_instances_with_charmmff	Test if we can generate a simulation instance with charmmff
test_initializing_ZINC00077329_system
test_simulating	Test if we can generate a simulation instance with charmmff