Dears:
I have read the usage of 'radial' in the Amber2016 Manual,but I still have some questions.
radial <outfilename> <spacing> <maximum> <solvent mask1>
[<solute mask2>] [noimage] [density <density> | volume]
[center1 | center2 | nointramol] [<name>]
[intrdf <file>] [rawrdf <file>]
If I want to calculate the N(from solute) ---O1 (from solvent MeOH), the input should write like that, right?
radial RDF-450K-3 0.02 15 :2-494.N1 :1.O1 density 0.0149
If I want to calculate the N(from solute) ---MeOH(from solvent MeOH), the input should write like that, right?
radial RDF-450K-3 0.02 15 :2-494 :1.O1 density 0.0149
Thanks very much!
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Received on Tue Sep 12 2017 - 21:00:02 PDT
