[lammps-users] center of mass

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1

Steve,

I want to know if i can calculate the center of mass of all atoms with using s s s boundary condition using

fix 1 all com

Thanks
Ajit

2

yes

Steve

3

Steve,

U said that it’s possible to calculate COM for s s s boundary conditions. But when i tried it, the prog terminated with error msg

boundary s s s
units metal

4

Works for me. Are you using the current (fully patched)
version of LAMMPS? Compute com is a new command.

Steve