How to get bond length distribution between CG superatoms from atomistic simulation

Hi all,

I want to get the CG(Coarse-Grained) force field from atomistic simulation using Boltzmann inverted method. So I need get the bond length distribution between CG superatoms from atomistic simulation firstly. How can I get this kind of bond length distribution(like this figure) in lammps? Could anyone tell me what lammps commands I should use to achieve this? Thank you very much.

Best,
Shu
bondDistribution.jpg

Hi all,

I want to get the CG(Coarse-Grained) force field from atomistic simulation
using Boltzmann inverted method. So I need get the bond length distribution
between CG superatoms from atomistic simulation firstly. How can I get this
kind of bond length distribution(like this figure) in lammps? Could anyone
tell me what lammps commands I should use to achieve this? Thank you very
much.

​you should be able to compute the desired histograms by using fix
ave/histo on the bond length data from compute bond/local

axel.​

bondDistribution.jpg