Re: [AMBER] implicit solvent calculations with calcium ion

From: Bill Ross <ross.cgl.ucsf.edu>
Date: Thu, 6 Aug 2020 04:53:24 -0700

On 8/6/20 4:46 AM, David A Case wrote:
> ...
> The basic conclusion was that you can get any answer you want, depending
> radius you choose for the divalent ion. So, you could see what happens if you
> increase the Ca Born radius by small amounts.

It's fun to fit an equation for general use, linear was what we found
for ions within a DNA carbonyl-O-complex environment.

https://pubs.acs.org/doi/pdf/10.1021/ja00093a003

Bill

>
> ....dac
>
>
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Received on Thu Aug 06 2020 - 05:00:04 PDT
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