Dear All,
To calculate RDF from DNA atoms to water (oxygen atom) using command
radial filename 0.05 8.5 :WAT.O :1-20 closest density 0.033456
as I understood, PTRAJ will calculate RDF based on DNA surface. My question
is that how to calculate the RDF based on center of mass of specific solute
atoms (e.g. center of mass of only residue 1)?
many thanks in advance for your suggestion.
Regards,
Xioling
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Received on Wed Oct 18 2006 - 06:07:11 PDT
