From 64bf60019c825cdeacb79880644651ca2ce581c5 Mon Sep 17 00:00:00 2001
From: JohannesKarwou <johannes.karwou@gmail.com>
Date: Wed, 6 Dec 2023 17:10:58 +0100
Subject: [PATCH] asfe should work now

---
 transformato/mutate.py | 12 +++++++++---
 1 file changed, 9 insertions(+), 3 deletions(-)

diff --git a/transformato/mutate.py b/transformato/mutate.py
index 9baa40ac..6ab38185 100644
--- a/transformato/mutate.py
+++ b/transformato/mutate.py
@@ -2253,12 +2253,18 @@ def _scale_epsilon_and_rmin(atom, lambda_value, psf, tlc):
             # Quick check, if selected atom via AMBER mask is the same as the atom
             # we want to modify
             assert psf[f":{tlc}@{atom.idx+1}"].atoms[0].type == atom.type
-
+            pm.tools.actions.addLJType(
+                psf,
+                f":{tlc}@{atom.idx+1}",
+                radius=atom.initial_rmin * lambda_value,
+                epsilon=atom.initial_epsilon * lambda_value,
+            ).execute()
+            ### Only necessary to rename the atomtype to DDDn !!!
             pm.tools.actions.changeLJSingleType(
                 psf,
                 f":{tlc}@{atom.idx+1}",
-                0,
-                0,
+                atom.initial_rmin * lambda_value,
+                atom.initial_epsilon * lambda_value,
             ).execute()
 
     @staticmethod