Dear All

I have calculated four system with 10, 20, 40 and 80 gas molecules. I calculated the RDF between the center atom of gas molecules. However, when I plotted RDF profile in a single graph for different number of molecules, I found that there is no intensity variation. Although higher intensity for higher number of molecules system is logical.

Therefore, The output value of the RDF from LAMMPS is normalized? If so, then I could I get the output without normalization?

Thanks in advance for helping.

Best Regard

James

Dear All

I have calculated four system with 10, 20, 40 and 80 gas molecules. I

calculated the RDF between the center atom of gas molecules. However, when

I plotted RDF profile in a single graph for different number of molecules,

I found that there is no intensity variation. Although higher intensity for

higher number of molecules system is logical.

no. it is not logical at all.

the very definition of the g(r) is the ratio between the actual probability

to find a particle at distance r for the given system and an ideal gas with

the same particle density.

Therefore, The output value of the RDF from LAMMPS is normalized? If so,

then I could I get the output without normalization?

you cannot. it would not be a g(r).

axel.