Hi,
Just add the 'out' keyword to your 'radial' command, e.g.
radial CH3CN_N1 .1 15.0 :ACN.N out rdf.agr
The plot will be written in xmgrace format to 'rdf.agr'. See the Amber
manual for full details.
-Dan
On Wed, May 10, 2017 at 8:15 AM, Yang Jinpeng <1507110130.csu.edu.cn> wrote:
> Dear professor:
> From Tutorial: A room-temperature ionic liquid, I learned how to use cpptraj to draw RDF,
> cat>ptraj.in<<EOF
> trajin <trajectory filename>
> radial CH3CN_N1 .1 15.0 :ACN.N
> EOF
> cpptraj -p prmtop -i ptraj.in
> However,How can I use cpptraj to draw RDF with coordination number? as below:
>
> Thanks in advance.
>
>
>
> All the regard,
> Yang Jinpeng
>
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> http://lists.ambermd.org/mailman/listinfo/amber
>
--
-------------------------
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 May 10 2017 - 10:30:02 PDT
