Re: Dielectric Constant in the gas phase

From: Brian Radak (brian.radak_at_gmail.com)
Date: Fri Feb 09 2018 - 13:15:16 CST

Apparently, "dielectric" is in fact a valid keyword and defaults to 1.0.

I'll second Giacomo in that I've never seen any reason to be concerned with
such a thing unless using an implicit solvent model.

On Fri, Feb 9, 2018 at 1:19 PM, Giacomo Fiorin <giacomo.fiorin_at_gmail.com>
wrote:

> The dielectric constant *is 1* unless you're using an implicit solvation
> model, like GBIS.
>
> Giacomo
>
> On Fri, Feb 9, 2018 at 12:47 PM, Ahmad Kiani <ahmadkianikaranji_at_gmail.com>
> wrote:
>
>> Dear NAMD users,
>>
>> I am modeling a peptide in the gas phase. My question is how can I make
>> sure that dielectric constant for my simulation is equal to 1. As far as I
>> know it should be 1 but how can I specify dielectric constant in my
>> configuration file.
>>
>> Thanks
>> Ahmad
>>
>
>
>
> --
> Giacomo Fiorin
> Associate Professor of Research, Temple University, Philadelphia, PA
> Contractor, National Institutes of Health, Bethesda, MD
> http://goo.gl/Q3TBQU
> https://github.com/giacomofiorin
>

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