Re: [AMBER] unique atoms in TI softcore

From: David Case <>
Date: Thu, 17 Oct 2013 07:45:04 -0400

> On Oct 17, 2013, at 6:01 AM, Hannes Loeffler <> wrote:
> I am currently trying to find out how to determine the unique atoms for
> the TI softcore approach.

The soft core mask input variable is used to specify the unique atoms.

...not sure if this helps, but it seems to be what you are looking for...dac

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Received on Thu Oct 17 2013 - 05:00:03 PDT
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