diff --git a/src/somd2/config/_config.py b/src/somd2/config/_config.py index 7dd80b9..beebe2c 100644 --- a/src/somd2/config/_config.py +++ b/src/somd2/config/_config.py @@ -98,7 +98,7 @@ def __init__( charge_scale_factor=0.2, swap_end_states=False, coulomb_power=1.0, - shift_delta="10A", + shift_delta="1A", restraints=None, constraint="h_bonds", perturbable_constraint="h_bonds_not_heavy_perturbed",