Re: [AMBER] Query regarding 3DRISM calculation

From: David A Case <david.case.rutgers.edu>
Date: Thu, 10 Feb 2022 12:58:02 -0500

On Thu, Feb 10, 2022, ABDUL BASIT wrote:

>for g(r)>25, there is a high probability of calcium ions at the position
>where calcium is already present as a part of solute as shown in the
>attached figure.

Can you say exactly what commands you are using to do the rism3d
calculation?

....dac


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Received on Thu Feb 10 2022 - 10:00:03 PST
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