Lower default relaxation timeout threshold

BioinfoMachineLearning · Aug 12, 2024 · 943d8e0 · 943d8e0
1 parent fc08f7f
commit 943d8e0
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/posebench/models/minimize_energy.py b/posebench/models/minimize_energy.py
@@ -55,7 +55,7 @@
 
 FORCE_FIELDS_IMPLICIT = ["amber14-all.xml", "implicit/gbn2.xml"]
 FORCE_FIELDS_EXPLICIT = ["amber14-all.xml", "amber14/tip3pfb.xml"]
-OPTIMIZATION_TIMEOUT_IN_SECONDS = 1800
+OPTIMIZATION_TIMEOUT_IN_SECONDS = 600
 
 bond_lengths = {
     ("C", "CA"): (1.5335,),