Question about RDF command and how it is done

Dear Coordinator

I hope this email finds you well

The question that I have is related to the simulation of a NaCl like structure system, two infused FCC that form a Simple Cubic, that are interacting with each other with Lj potential. When I calculate the RDF of the system, at first before applying the npt as follows, my RDF for a-a and a-b are fine as you can see in the first two graph. I should say that by fine I mean the ration between first and second peaks is equal to the ratio that I expected.

However, after I apply the npt to the system, the rdf and the ratio goes to some value different to what I expect. Later, I found out that the position of the first peak is as the same as the value for the \sigma for the potential between two type. I should say for the result in this email the Lj Parameter \sigma for a-b interaction is the half of the one for a-a and a-b.

the problem that I have is that it doesnt make sense since I use the Periodic boundary condition and I cannot understand how this could happen spatially.

Thanks In advance

fix ENS all npt temp 0.01 452.40

contrary to what is advertised in your subject line there is no question in your e-mail.