Dear Prof.Case,
I want to view Metal-O and Metal-H RDF.
I am sorry I did not make it clear in my previous email.
Thank you very much for your kind help in advance.
Tianxiao Yang
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My MD system is one metal ion solvated in water. I have a big problem
running ptraj to draw RDF between solute central metal and WAT. Could you
please kindly help me out? I greatly appreciate your kind help.
My ptraj script file is:
trajin md02.mdcrd
center
radial cm-o-md00 0.05 8.5 :WAT.O :1.CM closest density 0.033456
radial cm-h-md00 0.1 8.5 :WAT.H2 :1.CM closest density 0.033456
go
Received on Thu May 22 2003 - 00:53:00 PDT
