From: zahra khatti <zkhatti2000.yahoo.com>
Date: Tue, 1 Jul 2014 03:04:24 -0700

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
AMBER mailing list
Received on Tue Jul 01 2014 - 03:30:02 PDT
Custom Search