On the webpage for
http://ambermd.org/gpus/
, 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.
r.molt.chemical.physics.gmail.com
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Received on Tue Nov 17 2015 - 20:00:04 PST