Hi,
On Tue, Sep 12, 2017 at 11:58 PM, 杨满意 <ymy0664.163.com> wrote:
> 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 what you want is the RDF of all solute 'N1' atoms to a single O1
atom in residue 1 then this will probably give you the output you
want.
-Dan
--
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
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Received on Wed Sep 13 2017 - 07:00:03 PDT
