[gmx-users] How to exclude atoms within the same molecule from an rdf.

Stella Nickerson stella.nickerson at gmail.com
Thu Nov 6 21:42:20 CET 2014

I'm simulating a mixture of molecules (call them Molecules A, B, and C).
The rdf between A and B and between A and C both look fine, but the one
between A and A is crazy-looking. I assume this is because it's comparing
atoms within the same molecule. I can't figure out how to exclude atoms in
the same molecule from the rdf.



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