Re: AMBER: TI with electrostatic decoupling at sander

From: David A. Case <>
Date: Thu, 27 Jan 2005 17:27:10 -0800

On Thu, Jan 27, 2005, wrote:
> Would you please tell me why in production runs we need to run in a constant
> volume condition, but not a constant pressure condition as in the equlibration
> condition?

This is just a matter of taste; constant volume runs are a little faster on
parallel machines than constant pressure runs. You could use NTP for the
"production" job as well, if you wish.


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Received on Fri Jan 28 2005 - 01:53:00 PST
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