From f753b3bfe6723a4d097f469eed0322849434907e Mon Sep 17 00:00:00 2001 From: Lester Hedges Date: Mon, 26 Jan 2026 11:10:48 +0000 Subject: [PATCH] Use length of index list when reporting size of REST2 region. --- src/somd2/runner/_base.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/somd2/runner/_base.py b/src/somd2/runner/_base.py index 87f0d0c..9e0eaf7 100644 --- a/src/somd2/runner/_base.py +++ b/src/somd2/runner/_base.py @@ -446,7 +446,7 @@ def __init__(self, system, config): # Log the atom indices in the REST2 selection. if is_rest2: - _logger.info(f"REST2 selection contains {len(atoms)} atoms: {idxs}") + _logger.info(f"REST2 selection contains {len(idxs)} atoms: {idxs}") # Apply hydrogen mass repartitioning. if self._config.hmr: