Re: [AMBER] EPW "ATOMS Moving too fast" - TIP4PEW

From: David Case <>
Date: Mon, 8 Jul 2019 22:02:49 +0000

On Mon, Jul 08, 2019, Bowman, Jacob wrote:
>set default FlexibleWater on

Oooh...don't do this if you plan to use TIP4PEW (or similar water models
like OPC). These are by definition rigid models, and treating them as
flexible will almost certainly lead to pathologies.


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Received on Mon Jul 08 2019 - 15:30:01 PDT
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