[AMBER] TI on gpus

From: Debarati DasGupta <debarati_dasgupta.hotmail.com>
Date: Thu, 24 Oct 2019 17:45:55 +0000

Can GPUs be used for production runs using various clambda values in Thermodynamic Integration or is it just sander.MPI /pmemd.MPI…
Pmemd.cuda cannot handle the TI runs asof now right?


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Received on Thu Oct 24 2019 - 11:00:01 PDT