corrected behaviour

marrink-lab · Nov 3, 2023 · 1617e84 · 1617e84
1 parent 9104cec
commit 1617e84
Showing 1 changed file with 1 addition and 2 deletions.
diff --git a/vermouth/processors/apply_rubber_band.py b/vermouth/processors/apply_rubber_band.py
@@ -94,9 +94,8 @@ def compute_force_constants(distance_matrix, lower_bound, upper_bound,
     np.fill_diagonal(constants, 0)
     constants *= base_constant
     constants[constants < minimum_force] = 0
-    constants[constants > base_constant] = 0
+    constants[constants > base_constant] = base_constant
     constants[distance_matrix > upper_bound] = 0
-    constants[distance_matrix < lower_bound] = 0    
     return constants