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
