AMBER Archive (2002)

Subject: Re: intdiel & extdiel

From: David A. Case (case_at_scripps.edu)
Date: Wed Nov 20 2002 - 09:51:44 CST

On Wed, Nov 20, 2002, Fredrick Robin Devadoss wrote:

> what is the difference between "intdiel", "extdiel" and "dielc"?

intdiel and extdiel are relevant only for generalized Born calculations;
they apply to particular regions of space (inside and outside the molecule,
respectively).

dielc is only relevant for non-generalized Born calculations. It is a
dielectric constant that applies everywhere.

..dac 

-- 

==================================================================
David A. Case                     |  e-mail:      case_at_scripps.edu
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
The Scripps Research Institute    |  phone:        +1-858-784-9768
10550 N. Torrey Pines Rd.         |  home page:                   
La Jolla CA 92037  USA            |    http://www.scripps.edu/case
==================================================================