angles representation

Hi,

For the angle_style table, my tabulated file has distances instead of angles that I want to read via Lammps.

What I mean to say is the following:

I do not have the angle information but the distances and the angle interactions (e.g 1_2_3 angle is represented in terms of 1_3 distance in Angstrom units)

Is there is away I can input these values in Lammps for angular interactions?
Do I need to make some changes in the code?

Looking forward to your suggestions!

Pooja

Do you have the distances as well as the directions of the distances? You need two vectors, not only two scalar (distances), to describe an angle.

Cy.

Hi,

For the angle_style table, my tabulated file has distances instead of angles that I want to read via Lammps.

What I mean to say is the following:

I do not have the angle information but the distances and the angle interactions (e.g 1_2_3 angle is represented in terms of 1_3 distance in Angstrom units)

Is there is away I can input these values in Lammps for angular interactions?

assuming that you have a mean field approximation.
take the bond length for bond 1_2 and 2_3 and then
it is a trivial planar geometry problem to reconstruct
the angle (“if you have a triangle withe the side lengths
for 1_2, 2_3, and 1_3 what is the 1_2_3 angle?”)

Do I need to make some changes in the code?

if you want a three-body potential that is not described
by an angle, i.e. you don’t want the trivial math listed
above, then, yes, you will have to write a new angle style.

axel.