Re: [AMBER] Recent updates to how Amber carries out softcore free energy calculations

From: Ruxi Qi <ruxiq.uci.edu>
Date: Thu, 12 Sep 2019 14:36:21 +0800

Hi Dave,

FYI, the link of this fix (update.16) points to a wrong address:

    The requested URL /bugfixes/AmberTools/19.0/update.16 was not found
    on this server.

Best,

Ruxi

On 9/5/2019 9:40 PM, David A Case wrote:

> We have posted some updates to the Amber softcore codes, to fix a
> problem in how 1-4 interactions between softcore and non-softcore
> regions are handled. See the explanation here:
>
> ambermd.org/SC14_explanation.php
>
> We encourage you to apply these updates if you are doing softcore free
> energy calculations.
>
> ...dac
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber

‚Äč

-- 
Ruxi Qi, Ph.D.
UC Irvine
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Received on Thu Sep 12 2019 - 00:00:03 PDT
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