Re: [AMBER] Barostat and thermostat for membrane protein-ligand simulation

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From: Andrea Pasquadibisceglie <andrea.pasquadibisceglie.uniroma3.it>
Date: Thu, 9 Jul 2020 11:32:05 +0200

Hi Sally,

I used the default value (0.0 dyne/cm) for the surface tension
parameter. Is that correct?
The simulations will be one or two microseconds long, and the issue I am
referring to is:
/"a substantial skewing of the box vectors can occur over very long
simulation timeframes."/

Thank you,
Andrea
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Received on Thu Jul 09 2020 - 03:00:03 PDT