[lammps-users] zero angular momentum of each water molecule

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1

Hi,

I would like to zero the angular momentum of each water molecule during a simulation. Using the momentum angular command I only zero the group average angular momentum. I have too many water molecules to define a separate group for each of them.
Is there another way to do it?

Best regards,

Klaus Rinne

2

Hi,

I would like to zero the angular momentum of each water molecule during a simulation. Using the momentum angular command I only zero the group average angular momentum. I have too many water molecules to define a separate group for each of them.
Is there another way to do it?

hi klaus,

i don't know any direct way without changing the code.
the "lammps-way" to do this, would be writing a new
fix class for your purpose.

cheers,
    axel.

3

Axel is correct - that't the only way I can think to do it.
As an aside, why do you want to do this? Seems like
it will perturb the dynamics in a bad way,

Steve