Re: [AMBER] AMBER: Segmentation fault

From: David A Case <david.case.rutgers.edu>
Date: Mon, 16 Sep 2019 08:31:45 -0400

On Mon, Sep 16, 2019, Bill Ross wrote:

>If there's a polarizable ff demo case, I'd see if that runs, and if so,
>compare .in files.

To expland: polarizable test cases are in the amber18/test folder, in
folders aspash_pol, dna_pol, ff12pol, and polarizable_water. You can
see if they work OK, and compare your inputs to the ones there.

....dac


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Received on Mon Sep 16 2019 - 06:00:04 PDT
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