AMBER Archive (2002)

Subject: Re: Distace dependent dielectric constant

From: David A. Case (case_at_scripps.edu)
Date: Thu Sep 12 2002 - 17:39:35 CDT

On Mon, Sep 09, 2002, Lorenzo Gontrani wrote:

> I was wondering if it is still possible to use the distance dependent
> dielectric constant model (switched on with idiel=0 in old Ambers). This
> because I need to do calculations with new systems and compare them with
> the old results.

See the "eedmeth" variable on p. 100 of the Users' Manual. Also, be sure
to occasionally check the "updates to the manual section" at the Amber Web
site...in this particular case, a comment has been added to make it easier
to figure out how to use distance-dependent dielectrics.

..good luck...dac 

-- 

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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
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