I believe cpptraj only does RDFs in spherical, not cylindrical, coordinates.
Regards,
Brian
On 07/01/2014 06:04 AM, zahra khatti wrote:
> Dear amber users
>
> I have cylindrical geometry of solute in octahedron water box.
> So I 'm going to calculate cylindrical distribution function
> between O atom of water and atom of solute using cpptraj.
> How can I use two component of solute in order to clyindrical RDF in trajin?
> best regards.
>
>
>
> Z. Khatti, Ph.D student of Physical Chemistry,
> Department of Chemistry, Iran University of Science & Technology,Tehran, Iran
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Received on Tue Jul 01 2014 - 09:30:02 PDT
