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
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Nov 17 2015 - 20:00:03 PST
