Re: [AMBER] addions command in the xleap

From: Aron Broom <broomsday.gmail.com>
Date: Sat, 21 Apr 2012 08:14:53 -0400

There may be one, but I've always calculated that manually.

When you solvate the system leap will spit out the total volume, you can
use that to determine the number of ions given the concentration you want.

~Aron

On Sat, Apr 21, 2012 at 12:57 AM, Acoot Brett <acootbrett.yahoo.com> wrote:

> Dear All,
>
> Suppose besides neutralize the system, I also need to add 0.15 mol/L NaCl
> to the system, will you please tell me the corresponding addions command
> in the xleap?
>
> Cheers,
>
> Acoot
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-- 
Aron Broom M.Sc
PhD Student
Department of Chemistry
University of Waterloo
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Received on Sat Apr 21 2012 - 05:30:03 PDT
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