Merge pull request #291 from macrocosm-os/staging

Author: Sarkosos

folding/__init__.py

@@ -1,7 +1,7 @@
 from .protocol import JobSubmissionSynapse
 from .validators.protein import Protein
 
-__version__ = "1.3.0"
+__version__ = "1.3.1"
 version_split = __version__.split(".")
 __spec_version__ = (
     (10000 * int(version_split[0]))

folding/validators/protein.py

@@ -551,6 +551,10 @@ def is_run_valid(self):
         )
 
         check_energies: np.ndarray = check_log_file["Potential Energy (kJ/mole)"].values
+        
+        if len(np.unique(check_energies)) == 1:
+            logger.warning("All energy values in reproduced simulation are the same. Skipping!")
+            return False, [], []
 
         if not self.check_gradient(check_energies=check_energies):
             logger.warning(