Re: [AMBER] Modeling of flexible enzyme: on the selection of the thermostat

From: David A Case <>
Date: Wed, 3 Jul 2019 09:54:15 -0400

On Wed, Jul 03, 2019, James Starlight wrote:

>I am only wondering about selection of the tautp with ntt=3
>(langevin's dynamics), while using gamma_ln=1.0 for the production

As you surmise, tautp is ignored when ntt=3.


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Received on Wed Jul 03 2019 - 07:00:03 PDT
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