How can I give an initial angular velocity to one triatomic molecule like H2O?

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1

Hi everyone,

We can give a H2O molecule a translation velocity by “velocity H2O set vx vy vz units box”.
But how can I generate rotational velocity for this H2O molecule with “wx wy wz”?

Regards,
Meng

2

Hi everyone,

We can give a H2O molecule a translation velocity by "velocity H2O set vx
vy vz units box".
But how can I generate rotational velocity for this H2O molecule with "wx
wy wz"?

​you cannot. wx wy and wy do not apply to point particles and definitely
not to molecules.
you would have to compute the what velocities individual atoms would have
and set them.

what do you need to set this ​for, anyway?

​axel.​

3

Thinks for your reply.
I want to study the collision of a H2O molecule with a wall, so I need to give the H2O molecule a special translation velocity and an angular velocity.

Do you have any advise?

Meng

4

I already gave it to you.