Fix bonding in custom ethane pdb file

mosdef-hub · Jun 21, 2024 · 5153047 · 5153047
1 parent 60845b3
commit 5153047
Showing 1 changed file with 3 additions and 1 deletion.
diff --git a/foyer/tests/files/ethane_customtype.pdb b/foyer/tests/files/ethane_customtype.pdb
@@ -9,7 +9,9 @@ ATOM    5   _Hb  ETH     1       2.956   1.278  -9.381  0.00  0.00           H
 ATOM    6   _Hb  ETH     1       4.748   0.049  -7.277  0.00  0.00           H
 ATOM    7   _Hb  ETH     1       5.187   0.312  -8.947  0.00  0.00           H
 ATOM    8   _Hb  ETH     1       4.890   1.676  -7.897  0.00  0.00           H
-CONECT 1    2
+CONECT 1    2     3     4     5     6     7     8
+CONECT 2    1     6     7     8
+CONECT 1    2 
 CONECT 1    3
 CONECT 1    4
 CONECT 1    5