fixed assign chainID

Valdes-Tresanco-MS · Mar 10, 2021 · 6c9fd89 · 6c9fd89
1 parent 8a3428c
commit 6c9fd89
Showing 1 changed file with 1 addition and 2 deletions.
diff --git a/GMXMMPBSA/make_top.py b/GMXMMPBSA/make_top.py
@@ -904,11 +904,10 @@ def fix_chains_IDs(self, com_str, rec_str=None, lig_str=None, ref_str=None):
                     logging.warning('Already have chain ID. Re-assigning ID...')
                 else:
                     logging.warning('Assigning chains ID...')
-            elif self.INPUT['assign_chainID'] == 0 and self.FILES.complex_tpr[-3] == 'gro':
+            elif self.INPUT['assign_chainID'] == 0 and self.FILES.complex_tpr[-3:] == 'gro':
                 assign = True
                 logging.warning('No reference structure was found and a gro file was used for the complex '
                                 'structure. Assigning chains ID...')
-
             if assign:
                 chains_ids = []
                 chain_by_num = False