[AMBER] how to quantify and visualize the flow of water into a protein

From: Thomas Evangelidis <tevang3.gmail.com>
Date: Wed, 9 Jul 2014 02:20:14 +0300

Greetings,

Is anyone aware of any tool that helps visualize and/or quantify the flow
of water into a transporter from an MD trajectory? I have a long trajectory
of a transporter and want to find the main entrance points of water. I can
see by manual inspection the various entrance points but it is difficult to
decide which is/are the most important.

thanks,
Thomas

-- 
======================================================================
Thomas Evangelidis
PhD student
University of Athens
Faculty of Pharmacy
Department of Pharmaceutical Chemistry
Panepistimioupoli-Zografou
157 71 Athens
GREECE
email: tevang.pharm.uoa.gr
          tevang3.gmail.com
website: https://sites.google.com/site/thomasevangelidishomepage/
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber

Received on Tue Jul 08 2014 - 16:30:03 PDT