AMBER Archive (2005)

Subject: AMBER: local dielectric constant

From: Xavier Deupi (Xavier.Deupi_at_stanford.edu)
Date: Mon Apr 18 2005 - 20:17:40 CDT

Hi,

I'd like to know if anybody out there has tried to estimate local (i.e.
at specific sites of a protein) values of the dielectric constant from a
MD trajectory. I guess it has to be possible, but I'm not sure how to
face the problem. Any help is welcome, and I promise to summarize all
the feedback I receive and share it with the list.

Regards,

xavi 

-- 
Xavier Deupi, Ph.D.
Department of Molecular and Cellular Physiology
Beckman Center for Molecular and Genetic Medicine (B161)
279 Campus Drive, Stanford University School of Medicine
Stanford, CA 94305 (USA)

E-mail: Xavier.Deupi_at_stanford.edu
Phone: +1 (650) 725-6497
Fax : +1 (650) 725-8021

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