Dear Christoph, I am working on a polymer melt and I am consistently getting rdfs for nonbonded interactions that look like the attachment. I get a peak where there is a bond and it shouldn't be counted as a non bonded interaction. I saw in earlier posts that one should first derive the bonded interactions from a single chain and then nonbonded from the melt. Even though I did not follow this strategy still I wouldn't expect something like this. Any help would be very much appreciated.
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P2_P2.eps
Description: PostScript document
