On Thu, Mar 11, 2021, Gerald Monard wrote:
>If I may: put ntf=1.
Also: set the SHAKE tolerance to 1.d-6.
It would be of interest to know if the problem persists when setting ntt=3.
I think ntt=2 has not been so widely tested.
Given previous reports, it would also be of interest to know if the problem
persists if you use ff14SB in place of ff19SB.
I'm only suggesting the above for tests, to help try to narrow down the
combination of parameters that leads to the behavior you report.
...thanks...dac
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Received on Thu Mar 11 2021 - 06:00:02 PST
