AMBER Archive (2007)

Subject: Re: AMBER: addions

From: David A. Case (case_at_scripps.edu)
Date: Sun Feb 04 2007 - 11:33:37 CST

On Sat, Feb 03, 2007, Amit Kumar wrote:

>
> I want to run minimization and MD in implicit solvent. I wanted to know
> whether I should add counterions to neutralize the charge, or I shouldn`t
> bother with it, since I am using implicit solvent.
>

Amber's implicit solvent models assume that you will *not* have explicit
counterions.

...good luck...dac

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