Re: [AMBER-Developers] [EXTERNAL] Biggest cutoff plus skin combo?

From: Neale, Christopher Andrew <cneale.lanl.gov>
Date: Fri, 25 Jun 2021 19:35:10 +0000

For MD, possibly charmm ff: cut=12.0 A and default skinnb = 2.0 A. But I think people doing normal mode analysis sometimes use huge cutoffs.

´╗┐On 6/25/21, 1:25 PM, "Scott Le Grand" <varelse2005.gmail.com> wrote:

    Hey all, I am thinking about a radical rewrite of the sort code used in
    CUDA AMBER.

    I need one datapoint. What's the biggest nonbond cutoff plus skin in
    practical use currently?
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Received on Fri Jun 25 2021 - 13:00:02 PDT
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