Dear Amber users,
I want to know if I have a molecule like guanine which consist of H22,H21,N2,C2,N3,O6,H1,N1,C5,C6,C4,N7,H8,C8,N9 atom ,if I use this command for RDF calculation :
trajin modified-125.mdcrd
radial rdf-1 0.1 35.0 :1.H22,H21,N2,C2,N3,O6,H1,N1,C5,C6,C4,N7,H8,C8,N9 :17-29.K+
Is it calculate the RDF plot center of mass of the Whole residue with ion ??
Thank you
saikat
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Received on Wed Jun 07 2017 - 04:00:02 PDT
