From: Jianping Wang (wang4_at_sas.upenn.edu)
Date: Fri Jun 17 2005 - 13:55:40 CDT
Pijush,
Probably by now you've found out that a similar question was posted once a while
ago, and there is a RDF.tcl available (written by Zhanwu Liu). I am also
interested in this issue recently. However, it seems to me the script cannot be
used for a single atom of interest. For example, it probably won't work if you
want to get a RDF of a specific atom with all the hydrogen atoms in water. I
wrote a matlab code for this.
Hope this helps.
Jack
Quoting Pijush Ghosh <pijush.ghosh_at_ndsu.edu>:
> Hello
> I have .dcd file and other necessary files from my MD simulation. Now I
> want to find the Radial Distribution Function for the atoms of my structure.
> Can anyone tell me how to do so, or if there is any script available for
> this. I would appreciate if some one explains me the referred script in
> terms of input and output files little bit.
> Appreciate your help in advance.
>
> Pijush.
>
> Pijush Ghosh
> PhD Student
> Department of Civil Engineering
> North Dakota State University
> Fargo. ND. 58105. USA
> Phone:
> 701-231-6491(Lab)
> 701-231-4341(Res)
>
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