Run 400 iterations in test_replica_exchange_harmonic_oscillator
@@ -182,7 +182,7 @@ def test_replica_exchange_harmonic_oscillator(verbose=False, verbose_simulation=
move = mmtools.mcmc.LangevinDynamicsMove(timestep=2.0*unit.femtoseconds,
collision_rate=20.0/unit.picosecond,
n_steps=500, reassign_velocities=True)
- simulation = ReplicaExchangeSampler(mcmc_moves=move, number_of_iterations=200)
+ simulation = ReplicaExchangeSampler(mcmc_moves=move, number_of_iterations=400)
# Define file for temporary storage.
with mmtools.utils.temporary_directory() as tmp_dir:
