how are vertices in dihedrals section of the data file ordered?

Dear users,

I'm interested in how vertices in dihedrals section should be ordered.
For instance, I have two triangles with te following vertices indexes:
Tr1 = {1, 2, 3}, Tr2 = {2, 3, 4}. Corresponding bonds are (1,2), (1,
4), (2,3), (3, 4), (2, 4)
I want to add dihedral force between them so shall I write "1 1 1 2 3
4" in the dihedrals section of an input data file?

Dear users,

I'm interested in how vertices in dihedrals section should be ordered.
For instance, I have two triangles with te following vertices indexes:
Tr1 = {1, 2, 3}, Tr2 = {2, 3, 4}. Corresponding bonds are (1,2), (1,
4), (2,3), (3, 4), (2, 4)
I want to add dihedral force between them so shall I write "1 1 1 2 3
4" in the dihedrals section of an input data file?

hmmm... if you have 1,2,3 and 2,3,4 "triangles", then
the dihedral definition would be expecting bonds between
1-2, 2-3, and 3-4. that is the usual definition.
1-4 and 2-4 bonds don't usually happen, or if they
happen, you would define multiple dihedrals.

that all being said, if you only want to model
the dihedral interaction around the 2-3 bond,
then defining the dihedral as 1 1 1 2 3 4 would
be the correct way for dihedral 1 type 1 between
the four atoms 1 2 3 4.

cheers,
   axel.