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
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.