AMBER Archive (2006)

Subject: AMBER: analysing water behavior during MD

From: Vlad Cojocaru (Vlad.Cojocaru_at_eml-r.villa-bosch.de)
Date: Fri Jan 13 2006 - 09:17:06 CST

Dear amber users,

   I am interested to extract information about water from amber
trajectories... For example to identify possible water channels in a
protein or high occupancy water spots inside the macromolecule (having
the results represented as color maps drawn according to occupancy).
   I have never done this type of analysis and I was wondering if
anybody could point me to software that can do this or at least point me
to some references that describe such type of analysis..

Thank you very much in advance
vlad 

-- 
Dr. Vlad Cojocaru
EML Research gGmbH
Molecular and Cellular Modeling Group
Schloss-Wolfsbrunnenweg 33
69118 Heidelberg, Germany
Phone: +49-6221-533266
Fax: +49-6221-533298
e-mail: Vlad.Cojocaru_at_eml-r.villa-bosch.de
http://projects.villa-bosch.de/mcm/people/cojocaru/

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