remove restriction on associating groups

feos-org · Mar 17, 2024 · b70034f · b70034f
1 parent 0d4e50d
commit b70034f
Showing 1 changed file with 2 additions and 4 deletions.
diff --git a/parameters/pcsaft/sauer2014_smarts.json b/parameters/pcsaft/sauer2014_smarts.json
@@ -94,12 +94,10 @@
   },
   {
     "group": "OH",
-    "smarts": "[$([OH][CX4H2])]",
-    "max": 1
+    "smarts": "[$([OH][CX4H2])]"
   },
   {
     "group": "NH2",
-    "smarts": "[$([NH2][C,c]);!$([NH2][CH3])]",
-    "max": 1
+    "smarts": "[$([NH2][C,c]);!$([NH2][CH3])]"
   }
 ]