fix to final elif statment to run during step 13.

zadorlab · Jun 17, 2020 · a628029 · a628029
1 parent 362a2d5
commit a628029
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/kinbot/reac_Cyclic_Ether_Formation.py b/kinbot/reac_Cyclic_Ether_Formation.py
@@ -21,7 +21,7 @@ def get_constraints(self,step, geom):
             if len(self.instance) > 3:
                 self.fix_dihedrals(fix)
                 self.set_angles(change)
-        elif step == self.dihstep:
+        elif step == self.dihstep + 1:
             self.release_angles(release)
             self.release_dihedrals(release)