[lammps-users] Compute msd

Hi ,

compute msd is used to compute the msd in a group which is assigned at the beginning. I now want to compute msd in a specific region but the particles inside this region are crossing this region dynamically. Is there any way to do it or do i have to write a code to do it?

Thank you
Jim

What does that even mean? If a particle doesn't enter the region
until some later time, what would its MSD be from the original time?

As always, you can dump coords and post-process whatever you want.

Steve

2010/7/12 Jim Jim <[email protected]>:

I would like to add and substract dynamically the atoms/particles from a group.

Again, I don't know what this means. Please write the formula down
and explain it.

Steve