diff --git a/src/somd2/config/_config.py b/src/somd2/config/_config.py index b2b6598..1d45d7b 100644 --- a/src/somd2/config/_config.py +++ b/src/somd2/config/_config.py @@ -103,7 +103,7 @@ def __init__( barostat_frequency=25, integrator="langevin_middle", cutoff_type="pme", - cutoff="7.5 A", + cutoff="9 A", h_mass_factor=1.5, hmr=True, num_lambda=11,