[AMBER] Typo or My Confusion

From: Robert Molt <rwmolt07.gmail.com>
Date: Tue, 17 Nov 2015 22:56:42 -0500

On the webpage for


, an estimate of the maximum system size is given for GPU types. For the
conditions for explicit solvent, it lists NTB=1 (which is constant
volume) and NTP=1 (which is constant pressure) and NTT=3 (which is the
canonical ensemble). I do not know of a PVT ensemble, so either I am
very confused on thermodynamics or there is a typo?

Dr. Robert Molt Jr.
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Received on Tue Nov 17 2015 - 20:00:03 PST
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