Dear All,
I was calculating the radial distribution function of :WAT.O using the
following command:
/radial rdf_005 0.1 10 :WAT.O :36 closest noimage
.../
the results show the smallest distance is around 1.550, less than the
VDW radius of OW. And :36 is SER, in which the VDW radius of atoms is at
least 1.3870. How can a oxygen atom be so close to an atom that the
distance between them is half the sum of their VDW radius? What did I
misunderstand here?
Best regards
Alan
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Received on Mon May 14 2012 - 09:30:02 PDT
