From 90c123a697c4ae54ffafa08f63ea0da60527a446 Mon Sep 17 00:00:00 2001 From: Lester Hedges Date: Mon, 21 Sep 2026 10:17:51 +0100 Subject: [PATCH] Backport fix from PR #209. [ci skip] --- src/somd2/config/_config.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) 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,