Re: [AMBER] query about Bromide ion forcefield parameter

From: David A Case <dacase.scarletmail.rutgers.edu>
Date: Mon, 12 Oct 2015 08:47:36 -0400

On Mon, Oct 12, 2015, jagannath mondal wrote:
>
> I saw there is parameters of Bromide ion by Cheatham and coworker ( 2008
> J.Phys.chem B) that was parameterized in TIP3P water. Can one use this
> along with amber forcefield ?

Yes: the expectation is that you will use the Joung-Cheatham ion parameters
(choose the one that matches your water model) in conjunction with Amber
parameters for biomolecules.

....dac


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Received on Mon Oct 12 2015 - 06:00:08 PDT
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