Hi
I have a spherical platinium nanoparticle (that includes 100 platinium atoms) in a simulation box that is filled (less than a half) with liquid argon. I want to simulate the boiling process of liquid argon on a copper plain surface. I know that I can log the position and linear velocity of the nanoparticle with below codes:
group Pt type 2
variable xcm_x equal xcm(Pt,x)
variable xcm_y equal xcm(Pt,y)
variable xcm_z equal xcm(Pt,z)
variable vcm_x equal vcm(Pt,x)
variable vcm_y equal vcm(Pt,y)
variable vcm_z equal vcm(Pt,z)
fix Ptloc Pt ave/time ${Ne} ${Nr} ${Nf} v_xcm_x v_xcm_y v_xcm_z file Pt_loc.txt
fix PtVel Pt ave/time ${Ne} ${Nr} ${Nf} v_vcm_x v_vcm_y v_vcm_z file Pt_Vel.txt
Now my question is: how can I log the angular velocity of the nanoparticle around x, y and z-axis?
Thanks