AMBER Archive (2009)

Subject: Re: [AMBER] distance-dependent dielectric constant minimization

From: Robert Duke (rduke_at_email.unc.edu)
Date: Tue Dec 01 2009 - 07:06:40 CST

Also please note that this option is not supported by pmemd.
Regards - Bob Duke
----- Original Message -----
From: "case" <case_at_biomaps.rutgers.edu>
To: "AMBER Mailing List" <amber_at_ambermd.org>
Sent: Tuesday, December 01, 2009 7:48 AM
Subject: Re: [AMBER] distance-dependent dielectric constant minimization

> On Tue, Dec 01, 2009, Rilei Yu wrote:
>>
>> Thanks for your remind, I went back and read the manual again it
>> just gives me a very brief introduce as" Dielectric multiplicative
>> constant for the electrostatic interactions. Default is 1.0. Please
>> note this is NOT related to dielectric constants for generalized
>> Born simulations.". After read, I still do not know how to run the
>> distance-dependent dielectric constant minimization. I ever read similar
>> paper people did such minimization for some special purpose. But they
>> never said how they did it.
>
> Sorry, I haven't used a distance-dependent dielectric in many years. Look
> at the eedmeth variable, (and be sure that this is what you really want to
> do--it is no longer in common use.)
>
> ...dac
>
>
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