Merge pull request #27 from molssi-seamm/dev

Added silicon atom typing.
molssi-seamm · Jun 12, 2023 · 91ca18d · 91ca18d
2 parents f9d484f + e34e1ef
commit 91ca18d
Showing 1 changed file with 9 additions and 0 deletions.
diff --git a/forcefield_step/data/pcff2018.frc b/forcefield_step/data/pcff2018.frc
@@ -6162,6 +6162,15 @@
             "description": "Generic SP3 sulfur",
             "overrides": []
         }
+    },
+    "si": {
+        "2023.05.29": {
+            "smarts": [
+                "[SiX4:1]"
+            ],
+            "description": "generic SP3 silicon atom",
+            "overrides": []
+        }
     }
 }