diff --git a/_modules/transformato/mutate.html b/_modules/transformato/mutate.html index 49703523..c819cd2f 100644 --- a/_modules/transformato/mutate.html +++ b/_modules/transformato/mutate.html @@ -2256,9 +2256,9 @@

Source code for transformato.mutate

 
         logger.debug(f"LJ scaling factor: {lambda_value_electrostatic}")
         logger.debug(f"VDW scaling factor: {lambda_value_vdw}")
-
-        offset = min([a.idx for a in psf.view[f":{self.tlc.upper()}"].atoms])
-        
+        print(f"Irgendwas stimmt hier nicht {len(psf.atoms)}")
+        # offset = min([a.idx for a in psf.view[f":{self.tlc.upper()}"].atoms])
+        offset = 0
         if lambda_value_electrostatic < 1.0:
             self._mutate_charge(psf, lambda_value_electrostatic, offset)