revert to original pitorsion code

2022-04-21 10:06:53 -06:00
parent 04ac4c4695
commit 501ef071c5
4 changed files with 109 additions and 110 deletions
--- a/tools/tinker/tinker2lmp.py
+++ b/tools/tinker/tinker2lmp.py
@ -755,8 +755,7 @@ for atom1 in id:
        atom5 = bonds[atom2-1][0]
        atom6 = bonds[atom2-1][1]

-      #pitorsionlist.append((atom3,atom4,atom1,atom2,atom5,atom6))
-      pitorsionlist.append((atom3,atom4,atom1,atom2,atom6,atom5))
+      pitorsionlist.append((atom3,atom4,atom1,atom2,atom5,atom6))

 # create bitorslist = list of 5-body interactions
 # generate topology via double loop over neighbors of central atom3