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3:46 AM
@NikeDattani Thanks!
 
 
4 hours later…
7:29 AM
@SRMaiti Thank you so much for all these your help. I looked at the link that you mentioned and trying to calculate with consideration of center of mass :) hope it would work!
 
 
1 hour later…
8:32 AM
@DGKang Yes although in your case, I think you are trying to calculate from particle A to particle B, so it would be slightly different I think.
I think a good test of your code would be to run an actual molecular dynamics simulation in a software like gromacs or NAMD and then use their tools to get the RDF. Then compare it to the one that you got from python. Their tools have been tested a lot, so it would probably give the right result.
 

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